N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C18H20N6OS — CID 168890470

IUPACN-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2cnn(-c3ccccc3)n2)n1)[C@H]1CCNC1
InChIInChI=1S/C18H20N6OS/c1-2-23(14-8-9-19-10-14)18(25)16-12-26-17(21-16)15-11-20-24(22-15)13-6-4-3-5-7-13/h3-7,11-12,14,19H,2,8-10H2,1H3/t14-/m0/s1
InChIKeyKXWHVVCZYUAQEI-AWEZNQCLSA-N
MW368.47 g/mol
LogP2.21
Rot. Bonds5

About N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 168890470) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID168890470
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2cnn(-c3ccccc3)n2)n1)[C@H]1CCNC1
InChIInChI=1S/C18H20N6OS/c1-2-23(14-8-9-19-10-14)18(25)16-12-26-17(21-16)15-11-20-24(22-15)13-6-4-3-5-7-13/h3-7,11-12,14,19H,2,8-10H2,1H3/t14-/m0/s1
InChIKeyKXWHVVCZYUAQEI-AWEZNQCLSA-N
XLogP2.21
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
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CID 168858531
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
N-ethyl-2-methyl-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 65198571
N-ethyl-2-methyl-N-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 65198740
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 63299155
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
2-benzyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119550827
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 107971834
2-[ethyl(piperidin-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696780

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 168890470) is N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(-c2cnn(-c3ccccc3)n2)n1)[C@H]1CCNC1.
What is the InChIKey of N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KXWHVVCZYUAQEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-2-23(14-8-9-19-10-14)18(25)16-12-26-17(21-16)15-11-20-24(22-15)13-6-4-3-5-7-13/h3-7,11-12,14,19H,2,8-10H2,1H3/t14-/m0/s1.
What are the key properties of N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-phenyltriazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168890470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).