N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine

C5H8N2S2 — CID 143609838

IUPACN-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCSNCc1cncs1
InChIInChI=1S/C5H8N2S2/c1-8-7-3-5-2-6-4-9-5/h2,4,7H,3H2,1H3
InChIKeyPIFSQFPPJXVLEL-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.51
Rot. Bonds3

About N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine

N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 143609838) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine
PubChem CID143609838
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC NameN-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine
SMILESCSNCc1cncs1
InChIInChI=1S/C5H8N2S2/c1-8-7-3-5-2-6-4-9-5/h2,4,7H,3H2,1H3
InChIKeyPIFSQFPPJXVLEL-UHFFFAOYSA-N
XLogP1.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine 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-(1,3-thiazol-5-ylmethyl)hydroxylamine
CID 82687431
1-methyl-N-(1,3-thiazol-5-ylmethyl)cyclopropan-1-amine
CID 115732524
4-methylsulfanyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 115732846
(2S)-2-(1,3-thiazol-5-ylmethylamino)propan-1-ol
CID 94578466
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290
2-N-(1,3-thiazol-5-ylmethyl)propane-1,2-diamine
CID 103391134
4,6-dimethyl-N-(1,3-thiazol-5-ylmethyl)pyrimidin-2-amine
CID 104577485
3-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732660
(2R,3R)-2-methyl-N-(1,3-thiazol-5-ylmethyl)oxolan-3-amine
CID 130933670
3-ethyl-N-(1,3-thiazol-5-ylmethyl)pentan-2-amine
CID 63843497
2,2-dimethyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 104589139
N-(1,3-thiazol-5-ylmethyl)heptan-1-amine
CID 115732008

Frequently Asked Questions

What is the IUPAC name of N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine (CID 143609838) is N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine is CSNCc1cncs1.
What is the InChIKey of N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is PIFSQFPPJXVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-8-7-3-5-2-6-4-9-5/h2,4,7H,3H2,1H3.
What are the key properties of N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine?
N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 160.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfanyl-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 143609838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).