[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea

C6H8N4OS2 — CID 65214512

IUPAC[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCc1nc(C(=O)NNC(N)=S)cs1
InChIInChI=1S/C6H8N4OS2/c1-3-8-4(2-13-3)5(11)9-10-6(7)12/h2H,1H3,(H,9,11)(H3,7,10,12)
InChIKeyGMLFNDWJMOKFPB-UHFFFAOYSA-N
MW216.29 g/mol
LogP-0.07
Rot. Bonds1

About [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea

[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea (PubChem CID 65214512) has the molecular formula C6H8N4OS2 and a molecular weight of 216.29 g/mol. Its IUPAC name is [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
PubChem CID65214512
Molecular FormulaC6H8N4OS2
Molecular Weight216.29 g/mol
Exact Mass216.01
IUPAC Name[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCc1nc(C(=O)NNC(N)=S)cs1
InChIInChI=1S/C6H8N4OS2/c1-3-8-4(2-13-3)5(11)9-10-6(7)12/h2H,1H3,(H,9,11)(H3,7,10,12)
InChIKeyGMLFNDWJMOKFPB-UHFFFAOYSA-N
XLogP-0.07
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea 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-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
(thiadiazole-4-carbonylamino)thiourea
CID 65216202
methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 77059386
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410
N-(4-carbamothioyl-2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107808615
N-[(3-carbamothioylphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198716
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103933370
[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The IUPAC name of [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea (CID 65214512) is [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea.
What is the SMILES notation for [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The canonical SMILES for [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea is Cc1nc(C(=O)NNC(N)=S)cs1.
What is the InChIKey of [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The InChIKey is GMLFNDWJMOKFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS2/c1-3-8-4(2-13-3)5(11)9-10-6(7)12/h2H,1H3,(H,9,11)(H3,7,10,12).
What are the key properties of [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea has a molecular weight of 216.29 g/mol, XLogP of -0.07, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea is sourced from PubChem (CID 65214512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).