4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine

C12H12N6S2 — CID 2345699

IUPAC4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N6S2/c1-18-12(15-16-17-18)20-8-10-7-19-11(14-10)13-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14)
InChIKeyIQRDTNFGICLYAC-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.70
Rot. Bonds5

About 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine

4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (PubChem CID 2345699) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
PubChem CID2345699
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H12N6S2/c1-18-12(15-16-17-18)20-8-10-7-19-11(14-10)13-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14)
InChIKeyIQRDTNFGICLYAC-UHFFFAOYSA-N
XLogP2.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine 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-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
2-(4-ethylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 8565023
4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564824
N-[3-[5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenyl]acetamide
CID 78849339
methyl 2-[2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazolin-3-yl]acetate
CID 24680740
4-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7161395
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 18775053
4-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 55544559
4-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 46562378
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132
2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 42989793
(2R)-2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 2376201

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine (CID 2345699) is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is Cn1nnnc1SCc1csc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is IQRDTNFGICLYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c1-18-12(15-16-17-18)20-8-10-7-19-11(14-10)13-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,13,14).
What are the key properties of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine?
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 304.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2345699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).