5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C6H7N5S3 — CID 60712716

IUPAC5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nc(CSc2nnc(N)s2)cs1
InChIInChI=1S/C6H7N5S3/c7-4-9-3(1-12-4)2-13-6-11-10-5(8)14-6/h1H,2H2,(H2,7,9)(H2,8,10)
InChIKeyDBUMVUDPWCMHHS-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.45
Rot. Bonds3

About 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 60712716) has the molecular formula C6H7N5S3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID60712716
Molecular FormulaC6H7N5S3
Molecular Weight245.36 g/mol
Exact Mass244.99
IUPAC Name5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nc(CSc2nnc(N)s2)cs1
InChIInChI=1S/C6H7N5S3/c7-4-9-3(1-12-4)2-13-6-11-10-5(8)14-6/h1H,2H2,(H2,7,9)(H2,8,10)
InChIKeyDBUMVUDPWCMHHS-UHFFFAOYSA-N
XLogP1.45
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-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

2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43247566
5-(2H-triazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130884607
5-[[2-(2-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 17349496
5-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 52558692
5-[(1-pentan-3-ylpyrazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 64786093
2,5-bis[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 55665665
5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 4962191
6-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909660
ethane;5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 142119097
5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 18777792
2-ethylsulfanyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 84602773
5-(furan-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 83172117

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 60712716) is 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is Nc1nc(CSc2nnc(N)s2)cs1.
What is the InChIKey of 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DBUMVUDPWCMHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S3/c7-4-9-3(1-12-4)2-13-6-11-10-5(8)14-6/h1H,2H2,(H2,7,9)(H2,8,10).
What are the key properties of 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 245.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 60712716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).