2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide

C19H18ClN7O2S — CID 58440781

IUPAC2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)Nc3ccccc3)nc(Cl)n1)CC2
InChIInChI=1S/C19H18ClN7O2S/c1-21-18(29)26-19-24-12-7-8-27(10-14(12)30-19)15-9-13(23-17(20)25-15)16(28)22-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,22,28)(H2,21,24,26,29)
InChIKeyIXTVTSOGZUPTLO-UHFFFAOYSA-N
MW443.92 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide

2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide (PubChem CID 58440781) has the molecular formula C19H18ClN7O2S and a molecular weight of 443.92 g/mol. Its IUPAC name is 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide
PubChem CID58440781
Molecular FormulaC19H18ClN7O2S
Molecular Weight443.92 g/mol
Exact Mass443.09
IUPAC Name2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)Nc3ccccc3)nc(Cl)n1)CC2
InChIInChI=1S/C19H18ClN7O2S/c1-21-18(29)26-19-24-12-7-8-27(10-14(12)30-19)15-9-13(23-17(20)25-15)16(28)22-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,22,28)(H2,21,24,26,29)
InChIKeyIXTVTSOGZUPTLO-UHFFFAOYSA-N
XLogP3.15
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.92
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[[[4-(pyrrolidine-1-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]methyl]-1H-pyridin-2-one
CID 137538597
[4-(2,6-Dimethyl-4-pyridinyl)piperazin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 70772710
N-(5-(2-((2,4-difluorophenyl)amino)-2-oxoethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)picolinamide
CID 71788132
4-[4-(Cyclohexylcarbamoyl)piperazin-1-yl]thieno[3,2-d]pyrimidine-6-carboxamide
CID 177660968
(2-(Phenylamino)thiazol-4-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 30860160
6-Methyl-N-[4-methyl-5-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-YL]pyridin-2-amine
CID 49661104
2-((4,6-dimethylpyrimidin-2-yl)amino)-N-(4-morpholinophenyl)thiazole-4-carboxamide
CID 49670122
6-(piperidin-1-yl)-N-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)pyrimidine-4-carboxamide
CID 91628642
(2-((4,6-Dimethylpyrimidin-2-yl)amino)thiazol-4-yl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 49670107
2-(dimethylamino)-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,6-dimethylpyrimidine-4-carboxamide
CID 87095526
2,6-bis(dimethylamino)-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 87095615
1-[1-[5-[1-(5-fluoro-1-methyl-2H-pyridin-3-yl)ethylamino]-2-methyl-[1,3]thiazolo[4,5-d]pyrimidine-7-carbonyl]azetidin-3-yl]-3-phenylurea
CID 146427545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide (CID 58440781) is 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide is CNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)Nc3ccccc3)nc(Cl)n1)CC2.
What is the InChIKey of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is IXTVTSOGZUPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O2S/c1-21-18(29)26-19-24-12-7-8-27(10-14(12)30-19)15-9-13(23-17(20)25-15)16(28)22-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,22,28)(H2,21,24,26,29).
What are the key properties of 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide?
2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 443.92 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 58440781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).