2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C13H15ClN4O3S — CID 71496472

IUPAC2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)nc(Cl)n1
InChIInChI=1S/C13H15ClN4O3S/c1-7-6-22-13(15-7)18-11(19)9-4-10(17-12(14)16-9)21-8(2)5-20-3/h4,6,8H,5H2,1-3H3,(H,15,18,19)
InChIKeyIOLVMSWSGREAGS-UHFFFAOYSA-N
MW342.81 g/mol
LogP2.56
Rot. Bonds6

About 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 71496472) has the molecular formula C13H15ClN4O3S and a molecular weight of 342.81 g/mol. Its IUPAC name is 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID71496472
Molecular FormulaC13H15ClN4O3S
Molecular Weight342.81 g/mol
Exact Mass342.06
IUPAC Name2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)nc(Cl)n1
InChIInChI=1S/C13H15ClN4O3S/c1-7-6-22-13(15-7)18-11(19)9-4-10(17-12(14)16-9)21-8(2)5-20-3/h4,6,8H,5H2,1-3H3,(H,15,18,19)
InChIKeyIOLVMSWSGREAGS-UHFFFAOYSA-N
XLogP2.56
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242
2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
CID 87420038
2-[2-[2-methoxyethyl(methyl)amino]ethoxy]-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828211
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
5-chloro-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47293511
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 88532254
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
2-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-methylpyrimidine-4-carboxamide
CID 114219527
4-(2-cyano-6-methyl-4-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820891
3-chloro-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361583

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 71496472) is 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is COCC(C)Oc1cc(C(=O)Nc2nc(C)cs2)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is IOLVMSWSGREAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S/c1-7-6-22-13(15-7)18-11(19)9-4-10(17-12(14)16-9)21-8(2)5-20-3/h4,6,8H,5H2,1-3H3,(H,15,18,19).
What are the key properties of 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 342.81 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 71496472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).