(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide

C17H15N5OS — CID 97464271

IUPAC(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1nccs1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C17H15N5OS/c23-14(6-7-15-18-8-9-24-15)19-13-3-1-2-12(10-13)17-20-16(21-22-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,23)(H,20,21,22)/b7-6-
InChIKeyDXHJXLFGWWJRSF-SREVYHEPSA-N
MW337.41 g/mol
LogP3.46
Rot. Bonds5

About (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide

(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 97464271) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
PubChem CID97464271
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(/C=C\c1nccs1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1
InChIInChI=1S/C17H15N5OS/c23-14(6-7-15-18-8-9-24-15)19-13-3-1-2-12(10-13)17-20-16(21-22-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,23)(H,20,21,22)/b7-6-
InChIKeyDXHJXLFGWWJRSF-SREVYHEPSA-N
XLogP3.46
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
5-[[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 167925038
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-N'-[(2S)-3-methylbutan-2-yl]oxamide
CID 95773539
1-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119311925
(2R,6R)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 95571034
9-amino-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988682
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763582
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 166210867
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 42038302
3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-phenylprop-2-enamide
CID 66996968

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide (CID 97464271) is (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is O=C(/C=C\c1nccs1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1.
What is the InChIKey of (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is DXHJXLFGWWJRSF-SREVYHEPSA-N. The full InChI is InChI=1S/C17H15N5OS/c23-14(6-7-15-18-8-9-24-15)19-13-3-1-2-12(10-13)17-20-16(21-22-17)11-4-5-11/h1-3,6-11H,4-5H2,(H,19,23)(H,20,21,22)/b7-6-.
What are the key properties of (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide?
(Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 337.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 97464271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).