[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

C15H17N3OS — CID 52897735

IUPAC[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(NCc2ccccc2)n1)N1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(18-8-4-5-9-18)13-11-20-15(17-13)16-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,17)
InChIKeyVHAMOLKUXHTPFO-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.99
Rot. Bonds4

About [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone

[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 52897735) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID52897735
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1csc(NCc2ccccc2)n1)N1CCCC1
InChIInChI=1S/C15H17N3OS/c19-14(18-8-4-5-9-18)13-11-20-15(17-13)16-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,17)
InChIKeyVHAMOLKUXHTPFO-UHFFFAOYSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
(2-morpholin-4-yl-2-oxoethyl) 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957322
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053
2-(benzylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967756
2-phenyl-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 84556880
N-benzyl-2-(pyridin-3-ylmethylamino)-1,3-thiazole-4-carboxamide
CID 117089108
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
N-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 153387397

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone (CID 52897735) is [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1csc(NCc2ccccc2)n1)N1CCCC1.
What is the InChIKey of [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is VHAMOLKUXHTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(18-8-4-5-9-18)13-11-20-15(17-13)16-10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,16,17).
What are the key properties of [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone?
[2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 52897735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).