N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H19N7OS — CID 136526924

IUPACN-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCn1nnnc1-c1cccc(NC(=O)C2CCCN2c2nccs2)c1
InChIInChI=1S/C17H19N7OS/c1-2-24-15(20-21-22-24)12-5-3-6-13(11-12)19-16(25)14-7-4-9-23(14)17-18-8-10-26-17/h3,5-6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,25)
InChIKeyUDMMLKSUZPGJQP-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.42
Rot. Bonds5

About N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 136526924) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID136526924
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC NameN-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCn1nnnc1-c1cccc(NC(=O)C2CCCN2c2nccs2)c1
InChIInChI=1S/C17H19N7OS/c1-2-24-15(20-21-22-24)12-5-3-6-13(11-12)19-16(25)14-7-4-9-23(14)17-18-8-10-26-17/h3,5-6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,25)
InChIKeyUDMMLKSUZPGJQP-UHFFFAOYSA-N
XLogP2.42
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
(2R)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94829105
(2S)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95342420
2-[4-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl carbamate
CID 174952449
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119330027
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822352
(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
(2R)-N-[5-(dimethylamino)-2-pyridinyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95620247
methyl 4-methyl-3-[[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]amino]benzoate
CID 42891704

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 136526924) is N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCn1nnnc1-c1cccc(NC(=O)C2CCCN2c2nccs2)c1.
What is the InChIKey of N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is UDMMLKSUZPGJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-2-24-15(20-21-22-24)12-5-3-6-13(11-12)19-16(25)14-7-4-9-23(14)17-18-8-10-26-17/h3,5-6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,25).
What are the key properties of N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyltetrazol-5-yl)phenyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136526924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).