2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

C16H21N5OS — CID 71795040

IUPAC2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(N3CCC(C)CC3)ncn2)s1
InChIInChI=1S/C16H21N5OS/c1-10-4-6-21(7-5-10)14-8-13(17-9-18-14)20-16(22)15-11(2)19-12(3)23-15/h8-10H,4-7H2,1-3H3,(H,17,18,20,22)
InChIKeyAIMJCJSTALAZIO-UHFFFAOYSA-N
MW331.45 g/mol
LogP3.04
Rot. Bonds3

About 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71795040) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID71795040
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cc(N3CCC(C)CC3)ncn2)s1
InChIInChI=1S/C16H21N5OS/c1-10-4-6-21(7-5-10)14-8-13(17-9-18-14)20-16(22)15-11(2)19-12(3)23-15/h8-10H,4-7H2,1-3H3,(H,17,18,20,22)
InChIKeyAIMJCJSTALAZIO-UHFFFAOYSA-N
XLogP3.04
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide (CID 71795040) is 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cc(N3CCC(C)CC3)ncn2)s1.
What is the InChIKey of 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AIMJCJSTALAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-10-4-6-21(7-5-10)14-8-13(17-9-18-14)20-16(22)15-11(2)19-12(3)23-15/h8-10H,4-7H2,1-3H3,(H,17,18,20,22).
What are the key properties of 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71795040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).