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

C17H23N5OS — CID 110100807

IUPACN,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(CC2CCCN(Cc3cncs3)C2)nc(C)n1
InChIInChI=1S/C17H23N5OS/c1-12-20-14(7-16(21-12)17(23)18-2)6-13-4-3-5-22(9-13)10-15-8-19-11-24-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,23)
InChIKeyCEGULEWLSTUFSK-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.06
Rot. Bonds5

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

N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 110100807) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID110100807
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(CC2CCCN(Cc3cncs3)C2)nc(C)n1
InChIInChI=1S/C17H23N5OS/c1-12-20-14(7-16(21-12)17(23)18-2)6-13-4-3-5-22(9-13)10-15-8-19-11-24-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,23)
InChIKeyCEGULEWLSTUFSK-UHFFFAOYSA-N
XLogP2.06
TPSA71.01 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)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

Related Compounds

N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124983622
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
6-[[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-N,2-dimethylpyrimidine-4-carboxamide
CID 125018988
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124958349
5-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644358
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 146287978
N-methyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 166600630
N-methyl-7-[(3S)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124987425
5-[[(3R)-3-[[5-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125018235
1-(4-chlorophenyl)-N-[[(3R)-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97274571
1-[(2S)-2-methyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 141277856

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 110100807) is N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(CC2CCCN(Cc3cncs3)C2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is CEGULEWLSTUFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-20-14(7-16(21-12)17(23)18-2)6-13-4-3-5-22(9-13)10-15-8-19-11-24-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,23).
What are the key properties of N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110100807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).