N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide

C19H20N6OS2 — CID 9358063

IUPACN-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(/C=N\n2c(C3CC3)n[nH]c2=S)cs1)c1cccc(C)c1C
InChIInChI=1S/C19H20N6OS2/c1-11-5-4-6-16(12(11)2)24(13(3)26)19-21-15(10-28-19)9-20-25-17(14-7-8-14)22-23-18(25)27/h4-6,9-10,14H,7-8H2,1-3H3,(H,23,27)/b20-9-
InChIKeyYRHCMUZAOXZNFE-UKWGHVSLSA-N
MW412.54 g/mol
LogP4.46
Rot. Bonds5

About N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide

N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9358063) has the molecular formula C19H20N6OS2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9358063
Molecular FormulaC19H20N6OS2
Molecular Weight412.54 g/mol
Exact Mass412.11
IUPAC NameN-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCC(=O)N(c1nc(/C=N\n2c(C3CC3)n[nH]c2=S)cs1)c1cccc(C)c1C
InChIInChI=1S/C19H20N6OS2/c1-11-5-4-6-16(12(11)2)24(13(3)26)19-21-15(10-28-19)9-20-25-17(14-7-8-14)22-23-18(25)27/h4-6,9-10,14H,7-8H2,1-3H3,(H,23,27)/b20-9-
InChIKeyYRHCMUZAOXZNFE-UKWGHVSLSA-N
XLogP4.46
TPSA79.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide 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

N-(2,3-dimethylphenyl)-N-[4-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9351271
N-[(Z)-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]benzamide
CID 9058831
N-(2,3-dimethylphenyl)-N-[4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 135888895
N-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17494852
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 9012573
N-(3,4-dimethylphenyl)-N-[4-[(Z)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]iminomethyl]-1,3-thiazol-2-yl]acetamide
CID 11935658
N-[4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35816369
3-cyclohexyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
CID 6858332
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
2-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid
CID 9357921
ethyl N-[(Z)-[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]carbamate
CID 9076028
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide (CID 9358063) is N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide is CC(=O)N(c1nc(/C=N\n2c(C3CC3)n[nH]c2=S)cs1)c1cccc(C)c1C.
What is the InChIKey of N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is YRHCMUZAOXZNFE-UKWGHVSLSA-N. The full InChI is InChI=1S/C19H20N6OS2/c1-11-5-4-6-16(12(11)2)24(13(3)26)19-21-15(10-28-19)9-20-25-17(14-7-8-14)22-23-18(25)27/h4-6,9-10,14H,7-8H2,1-3H3,(H,23,27)/b20-9-.
What are the key properties of N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide?
N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 412.54 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-(3-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9358063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).