N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C14H19N3OS — CID 142215501

IUPACN-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESC/C=C\C(=C/C)c1cnc(NC(=O)N2CCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-3-7-11(4-2)12-10-15-13(19-12)16-14(18)17-8-5-6-9-17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18)/b7-3-,11-4+
InChIKeySZTCZMKWLONVRU-VGQHJLIWSA-N
MW277.39 g/mol
LogP3.75
Rot. Bonds3

About N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 142215501) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID142215501
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESC/C=C\C(=C/C)c1cnc(NC(=O)N2CCCC2)s1
InChIInChI=1S/C14H19N3OS/c1-3-7-11(4-2)12-10-15-13(19-12)16-14(18)17-8-5-6-9-17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18)/b7-3-,11-4+
InChIKeySZTCZMKWLONVRU-VGQHJLIWSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 79155683
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 79161232
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
2-tert-butyl-N-[2-(pyrrolidine-1-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 47890716
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398
N-(5-bromo-1,3-thiazol-2-yl)but-2-enamide
CID 76880215
2-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823246
N-(5-acetyl-1,3-thiazol-2-yl)-1-butanoylpiperidine-3-carboxamide
CID 119039024
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 142215501) is N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is C/C=C\C(=C/C)c1cnc(NC(=O)N2CCCC2)s1.
What is the InChIKey of N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is SZTCZMKWLONVRU-VGQHJLIWSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-7-11(4-2)12-10-15-13(19-12)16-14(18)17-8-5-6-9-17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,15,16,18)/b7-3-,11-4+.
What are the key properties of N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 142215501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).