2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide

C17H22N4OS — CID 87005232

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2ccnc(N3CCCCC3)c2)cs1
InChIInChI=1S/C17H22N4OS/c1-13-20-15(12-23-13)10-17(22)19-11-14-5-6-18-16(9-14)21-7-3-2-4-8-21/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,22)
InChIKeyMCVVAZWTNAKWQK-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 87005232) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID87005232
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESCc1nc(CC(=O)NCc2ccnc(N3CCCCC3)c2)cs1
InChIInChI=1S/C17H22N4OS/c1-13-20-15(12-23-13)10-17(22)19-11-14-5-6-18-16(9-14)21-7-3-2-4-8-21/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,22)
InChIKeyMCVVAZWTNAKWQK-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide 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

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36757414
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 75370015
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 119841392
2-(2-aminoethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 120641088
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111999629
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 53498401
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
4-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119841403
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9124350
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide (CID 87005232) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide is Cc1nc(CC(=O)NCc2ccnc(N3CCCCC3)c2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is MCVVAZWTNAKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-20-15(12-23-13)10-17(22)19-11-14-5-6-18-16(9-14)21-7-3-2-4-8-21/h5-6,9,12H,2-4,7-8,10-11H2,1H3,(H,19,22).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 87005232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).