3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide

C10H11N5OS — CID 76924492

IUPAC3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
SMILESCc1ccsc1C=CC(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H11N5OS/c1-7-4-5-17-8(7)2-3-10(16)11-6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyDQUYMZZXDDVLKY-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.90
Rot. Bonds4

About 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide

3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide (PubChem CID 76924492) has the molecular formula C10H11N5OS and a molecular weight of 249.30 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
PubChem CID76924492
Molecular FormulaC10H11N5OS
Molecular Weight249.30 g/mol
Exact Mass249.07
IUPAC Name3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
SMILESCc1ccsc1C=CC(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H11N5OS/c1-7-4-5-17-8(7)2-3-10(16)11-6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyDQUYMZZXDDVLKY-UHFFFAOYSA-N
XLogP0.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-ethyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 60636518
N-(1H-imidazol-5-ylmethyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77075428
3-(4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide
CID 78977264
(E)-N-[(2-chlorophenyl)methyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9165268
N-methyl-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 76872160
(E)-N-(2-ethylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 113232022
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
(E)-N-(2-hydroxy-4-methylpentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103771088
5-[3-(3-methylthiophen-2-yl)prop-2-enoylamino]pentanoic acid
CID 76931596
(E)-N-(3-hydroxypentyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 115703620
N-(4-hydroxy-2-methylbutyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 77112820
(E)-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 103843443

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide (CID 76924492) is 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide is Cc1ccsc1C=CC(=O)NCc1nn[nH]n1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
The InChIKey is DQUYMZZXDDVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS/c1-7-4-5-17-8(7)2-3-10(16)11-6-9-12-14-15-13-9/h2-5H,6H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide?
3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide has a molecular weight of 249.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-N-(2H-tetrazol-5-ylmethyl)prop-2-enamide is sourced from PubChem (CID 76924492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).