2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide

C18H25N5OS — CID 91945576

IUPAC2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n1
InChIInChI=1S/C18H25N5OS/c1-12(2)14-10-15(16(24)22-18-19-13(3)11-25-18)21-17(20-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,19,22,24)
InChIKeyRCMIOMLHUGWYCP-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.00
Rot. Bonds4

About 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide

2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 91945576) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
PubChem CID91945576
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n1
InChIInChI=1S/C18H25N5OS/c1-12(2)14-10-15(16(24)22-18-19-13(3)11-25-18)21-17(20-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,19,22,24)
InChIKeyRCMIOMLHUGWYCP-UHFFFAOYSA-N
XLogP4.00
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidine-4-carboxamide
CID 91945584
N-(5-methyl-1,2-oxazol-3-yl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830560
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 91954044
N-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 110689621
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(2-piperidin-1-yl-6-propan-2-ylpyrimidin-4-yl)methanone
CID 97416235
2-(azepan-1-yl)-6-propan-2-yl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrimidine-4-carboxamide
CID 91957707
N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91958049
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
6-methyl-2-morpholin-4-yl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 56731273
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322331
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide (CID 91945576) is 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide is Cc1csc(NC(=O)c2cc(C(C)C)nc(N3CCCCCC3)n2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is RCMIOMLHUGWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12(2)14-10-15(16(24)22-18-19-13(3)11-25-18)21-17(20-14)23-8-6-4-5-7-9-23/h10-12H,4-9H2,1-3H3,(H,19,22,24).
What are the key properties of 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide?
2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).