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

C17H13ClFN5O2S — CID 162509718

IUPAC(4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2nc3cccnc3s2)N1
InChIInChI=1S/C17H13ClFN5O2S/c18-9-6-8(3-4-10(9)19)13(24-14(25)12-7-21-17(26)23-12)16-22-11-2-1-5-20-15(11)27-16/h1-6,12-13H,7H2,(H,24,25)(H2,21,23,26)/t12-,13?/m0/s1
InChIKeyRFVZIPUPQDRGPO-UEWDXFNNSA-N
MW405.84 g/mol
LogP2.37
Rot. Bonds4

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

(4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509718) has the molecular formula C17H13ClFN5O2S and a molecular weight of 405.84 g/mol. Its IUPAC name is (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509718
Molecular FormulaC17H13ClFN5O2S
Molecular Weight405.84 g/mol
Exact Mass405.05
IUPAC Name(4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2nc3cccnc3s2)N1
InChIInChI=1S/C17H13ClFN5O2S/c18-9-6-8(3-4-10(9)19)13(24-14(25)12-7-21-17(26)23-12)16-22-11-2-1-5-20-15(11)27-16/h1-6,12-13H,7H2,(H,24,25)(H2,21,23,26)/t12-,13?/m0/s1
InChIKeyRFVZIPUPQDRGPO-UEWDXFNNSA-N
XLogP2.37
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloropyridin-3-yl)acetamide
CID 2120748
(2S,4R)-1-N-(1-carbamoylindol-3-yl)-2-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoropyrrolidine-1,2-dicarboxamide
CID 57520000
US11802122, Example 66A
CID 162520815
US11802122, Example 66B
CID 162520870
US20230312528, Example 87
CID 162520891
(4S)-N-[(3-chloro-4-fluorophenyl)-(2-methyl-1,3-benzothiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509791
US20230312528, Example 81
CID 162509574
(2S)-N-(2-chloro-3-pyridinyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 168284319
(2S)-N-(2-chloro-3-pyridinyl)-2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 168285620
(2S,4R)-N-(3-chloro-2-fluorobenzyl)-4-fluoro-1-(2-(pyridin-3-yl)thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 118323359
(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
[(4S)-3-(7-cyclopropyl (1,3-thiazolo[4,5-e]pyridin-5-yl))-2-oxoimidazolidin-4-yl]-N-(3-chloro-2,4-difluorophenyl)-N-methylformamide
CID 168966874

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509718) is (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2nc3cccnc3s2)N1.
What is the InChIKey of (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is RFVZIPUPQDRGPO-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H13ClFN5O2S/c18-9-6-8(3-4-10(9)19)13(24-14(25)12-7-21-17(26)23-12)16-22-11-2-1-5-20-15(11)27-16/h1-6,12-13H,7H2,(H,24,25)(H2,21,23,26)/t12-,13?/m0/s1.
What are the key properties of (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3-chloro-4-fluorophenyl)-([1,3]thiazolo[5,4-b]pyridin-2-yl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).