(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide

C20H16ClF2N5O2S — CID 168966874

IUPAC(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CNC(=O)N1c1cc(C2CC2)c2ncsc2n1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C20H16ClF2N5O2S/c1-27(12-5-4-11(22)15(21)16(12)23)19(29)13-7-24-20(30)28(13)14-6-10(9-2-3-9)17-18(26-14)31-8-25-17/h4-6,8-9,13H,2-3,7H2,1H3,(H,24,30)/t13-/m0/s1
InChIKeyLSRNHUDHPIPMKI-ZDUSSCGKSA-N
MW463.90 g/mol
LogP4.06
Rot. Bonds4

About (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 168966874) has the molecular formula C20H16ClF2N5O2S and a molecular weight of 463.90 g/mol. Its IUPAC name is (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID168966874
Molecular FormulaC20H16ClF2N5O2S
Molecular Weight463.90 g/mol
Exact Mass463.07
IUPAC Name(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN(C(=O)[C@@H]1CNC(=O)N1c1cc(C2CC2)c2ncsc2n1)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C20H16ClF2N5O2S/c1-27(12-5-4-11(22)15(21)16(12)23)19(29)13-7-24-20(30)28(13)14-6-10(9-2-3-9)17-18(26-14)31-8-25-17/h4-6,8-9,13H,2-3,7H2,1H3,(H,24,30)/t13-/m0/s1
InChIKeyLSRNHUDHPIPMKI-ZDUSSCGKSA-N
XLogP4.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

US20230312528, Example 72
CID 162509718
(S)-N-(3-chloro-2,4-difluorophenyl)-N-methyl-2-oxo-3-(7-((trifluoromethyl)thio)thiazolo[5,4-b]pyridin-5-yl)imidazolidine-4-carboxamide
CID 168966826
(S)-N-(3-chloro-2,4-difluorophenyl)-N-methyl-2-oxo-3-(7-(trifluoromethyl)thiazolo[5,4-b]pyridin-2-yl)imidazolidine-4-carboxamide
CID 168966828
(S)-N-(3-chloro-2,4-difluorophenyl)-N-methyl-2-oxo-3-(4-(trifluoromethyl)thieno[2,3-b]pyridin-6-yl)imidazolidine-4-carboxamide
CID 168966864
(S)-N-(3-chloro-2,4-difluorophenyl)-N-methyl-3-(7-(methylthio)thiazolo[5,4-b]pyridin-5-yl)-2-oxoimidazolidine-4-carboxamide
CID 168966893
(S)-N-(3-chloro-2,4-difluorophenyl)-N-methyl-2-oxo-3-(4-(trifluoromethyl)selenobenzo[2,3-b]pyridin-6-yl)imidazolidine-4-carboxamide
CID 176456148
1-[5-(4-chloro-2-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]urea
CID 11648338
(2S)-2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 49858420
(2S)-2-amino-1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 58179022
N-[2-(2-chloro-6-fluorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]-2-(dimethylamino)acetamide
CID 66801847
1-[5-[(4-Chloro-2-fluorophenyl)methylamino]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(cyclopropylmethyl)urea
CID 87892605
1-[5-(4-chloro-2-fluoro-N-methylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(cyclopropylmethyl)urea
CID 87892606

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide (CID 168966874) is (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide is CN(C(=O)[C@@H]1CNC(=O)N1c1cc(C2CC2)c2ncsc2n1)c1ccc(F)c(Cl)c1F.
What is the InChIKey of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is LSRNHUDHPIPMKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H16ClF2N5O2S/c1-27(12-5-4-11(22)15(21)16(12)23)19(29)13-7-24-20(30)28(13)14-6-10(9-2-3-9)17-18(26-14)31-8-25-17/h4-6,8-9,13H,2-3,7H2,1H3,(H,24,30)/t13-/m0/s1.
What are the key properties of (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 463.90 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-chloro-2,4-difluorophenyl)-3-(7-cyclopropyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 168966874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).