2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C14H19N5OS — CID 97004532

IUPAC2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n[nH]1
InChIInChI=1S/C14H19N5OS/c1-10-7-12(18-17-10)11-3-2-5-19(8-11)9-13(20)16-14-15-4-6-21-14/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,17,18)(H,15,16,20)/t11-/m0/s1
InChIKeyBQCRRRGUHMXFJD-NSHDSACASA-N
MW305.41 g/mol
LogP1.99
Rot. Bonds4

About 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 97004532) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID97004532
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n[nH]1
InChIInChI=1S/C14H19N5OS/c1-10-7-12(18-17-10)11-3-2-5-19(8-11)9-13(20)16-14-15-4-6-21-14/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,17,18)(H,15,16,20)/t11-/m0/s1
InChIKeyBQCRRRGUHMXFJD-NSHDSACASA-N
XLogP1.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 72121343
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 72153907
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 72153908
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 45809031
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(1,3-thiazol-2-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780709
N-[4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 71926749
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369889
N-methyl-2-[3-[(1,3-thiazol-2-ylamino)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]acetamide
CID 97516823
2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 72153935
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylacetamide
CID 843409
2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 50958388

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 97004532) is 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n[nH]1.
What is the InChIKey of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BQCRRRGUHMXFJD-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10-7-12(18-17-10)11-3-2-5-19(8-11)9-13(20)16-14-15-4-6-21-14/h4,6-7,11H,2-3,5,8-9H2,1H3,(H,17,18)(H,15,16,20)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 97004532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).