(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

C15H20N6OS — CID 95144394

IUPAC(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C15H20N6OS/c1-11(13(22)20-15-18-7-10-23-15)21-8-3-12(4-9-21)19-14-16-5-2-6-17-14/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,16,17,19)(H,18,20,22)/t11-/m0/s1
InChIKeySZWOVCDXFPGVTE-NSHDSACASA-N
MW332.43 g/mol
LogP1.84
Rot. Bonds5

About (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95144394) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95144394
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@@H](C(=O)Nc1nccs1)N1CCC(Nc2ncccn2)CC1
InChIInChI=1S/C15H20N6OS/c1-11(13(22)20-15-18-7-10-23-15)21-8-3-12(4-9-21)19-14-16-5-2-6-17-14/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,16,17,19)(H,18,20,22)/t11-/m0/s1
InChIKeySZWOVCDXFPGVTE-NSHDSACASA-N
XLogP1.84
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide 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

(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518
(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
2-cyclopentyl-N-(1,3-thiazol-2-yl)propanamide
CID 141028315
(2S)-2-[4-(propylsulfonylamino)piperidin-1-yl]-N-pyrimidin-2-ylpropanamide
CID 95326992
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
(2R)-2-pyrazol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 35503683
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 47055938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95144394) is (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is C[C@@H](C(=O)Nc1nccs1)N1CCC(Nc2ncccn2)CC1.
What is the InChIKey of (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SZWOVCDXFPGVTE-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11(13(22)20-15-18-7-10-23-15)21-8-3-12(4-9-21)19-14-16-5-2-6-17-14/h2,5-7,10-12H,3-4,8-9H2,1H3,(H,16,17,19)(H,18,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 332.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95144394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).