2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C17H23N5OS — CID 124953767

IUPAC2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(Cc3scnc3C)C2)cc(C(N)=O)n1
InChIInChI=1S/C17H23N5OS/c1-11-16(24-10-19-11)9-22-5-3-4-13(8-22)6-14-7-15(17(18)23)21-12(2)20-14/h7,10,13H,3-6,8-9H2,1-2H3,(H2,18,23)/t13-/m1/s1
InChIKeyDXNAQHAZDAGQKV-CYBMUJFWSA-N
MW345.47 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide

2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124953767) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124953767
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(C[C@H]2CCCN(Cc3scnc3C)C2)cc(C(N)=O)n1
InChIInChI=1S/C17H23N5OS/c1-11-16(24-10-19-11)9-22-5-3-4-13(8-22)6-14-7-15(17(18)23)21-12(2)20-14/h7,10,13H,3-6,8-9H2,1-2H3,(H2,18,23)/t13-/m1/s1
InChIKeyDXNAQHAZDAGQKV-CYBMUJFWSA-N
XLogP2.10
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124953767) is 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is Cc1nc(C[C@H]2CCCN(Cc3scnc3C)C2)cc(C(N)=O)n1.
What is the InChIKey of 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is DXNAQHAZDAGQKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-16(24-10-19-11)9-22-5-3-4-13(8-22)6-14-7-15(17(18)23)21-12(2)20-14/h7,10,13H,3-6,8-9H2,1-2H3,(H2,18,23)/t13-/m1/s1.
What are the key properties of 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124953767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).