N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine

C17H15ClF2N6S — CID 170730951

IUPACN-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine
SMILESCC(F)(F)c1nccc(Nc2cc(Cl)ncc2-c2nc3c(s2)CCNC3)n1
InChIInChI=1S/C17H15ClF2N6S/c1-17(19,20)16-22-5-3-14(26-16)24-10-6-13(18)23-7-9(10)15-25-11-8-21-4-2-12(11)27-15/h3,5-7,21H,2,4,8H2,1H3,(H,22,23,24,26)
InChIKeyLMZCAEIUCQXZCC-UHFFFAOYSA-N
MW408.87 g/mol
LogP4.15
Rot. Bonds4

About N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine

N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine (PubChem CID 170730951) has the molecular formula C17H15ClF2N6S and a molecular weight of 408.87 g/mol. Its IUPAC name is N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine
PubChem CID170730951
Molecular FormulaC17H15ClF2N6S
Molecular Weight408.87 g/mol
Exact Mass408.07
IUPAC NameN-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine
SMILESCC(F)(F)c1nccc(Nc2cc(Cl)ncc2-c2nc3c(s2)CCNC3)n1
InChIInChI=1S/C17H15ClF2N6S/c1-17(19,20)16-22-5-3-14(26-16)24-10-6-13(18)23-7-9(10)15-25-11-8-21-4-2-12(11)27-15/h3,5-7,21H,2,4,8H2,1H3,(H,22,23,24,26)
InChIKeyLMZCAEIUCQXZCC-UHFFFAOYSA-N
XLogP4.15
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.87
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine with MolForge

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Related Compounds

Ulecaciclib
CID 126535127
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
(6-Chloro-pyridin-3-yl)-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-amine
CID 11198278
5-(2-methylpyrimidin-5-yl)-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979137
N2-(2,6-dichlorophenyl)-N7-(6-(trifluoromethyl)pyridin-3-yl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882957
5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45267044
4-chloro-5-(difluoromethyl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 52919873
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942728
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899
(S)-N-sec-butyl-5-(6-(2-chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52946367

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine?
The IUPAC name of N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine (CID 170730951) is N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine is CC(F)(F)c1nccc(Nc2cc(Cl)ncc2-c2nc3c(s2)CCNC3)n1.
What is the InChIKey of N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine?
The InChIKey is LMZCAEIUCQXZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N6S/c1-17(19,20)16-22-5-3-14(26-16)24-10-6-13(18)23-7-9(10)15-25-11-8-21-4-2-12(11)27-15/h3,5-7,21H,2,4,8H2,1H3,(H,22,23,24,26).
What are the key properties of N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine?
N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine has a molecular weight of 408.87 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-pyridinyl]-2-(1,1-difluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 170730951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).