4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine

C8H15N3S2 — CID 66228739

IUPAC4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCC(C)(N)CSCc1csc(N)n1
InChIInChI=1S/C8H15N3S2/c1-8(2,10)5-12-3-6-4-13-7(9)11-6/h4H,3,5,10H2,1-2H3,(H2,9,11)
InChIKeyWRSDCLZKLGMHRX-UHFFFAOYSA-N
MW217.36 g/mol
LogP1.70
Rot. Bonds4

About 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 66228739) has the molecular formula C8H15N3S2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID66228739
Molecular FormulaC8H15N3S2
Molecular Weight217.36 g/mol
Exact Mass217.07
IUPAC Name4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCC(C)(N)CSCc1csc(N)n1
InChIInChI=1S/C8H15N3S2/c1-8(2,10)5-12-3-6-4-13-7(9)11-6/h4H,3,5,10H2,1-2H3,(H2,9,11)
InChIKeyWRSDCLZKLGMHRX-UHFFFAOYSA-N
XLogP1.70
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-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

4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
tert-butyl 2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 116686654
4-(3-aminopropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 66219976
4-(3-methoxypropylsulfanylmethyl)-1,3-thiazol-2-amine
CID 63857547
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 43617626
5-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 60712716
ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
4-[2-(2-methylpiperidin-1-yl)ethylsulfanylmethyl]-1,3-thiazol-2-amine
CID 13363924
ethane;4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 142312130
4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 62268712
4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65484657
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
CID 42281861

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 66228739) is 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine is CC(C)(N)CSCc1csc(N)n1.
What is the InChIKey of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is WRSDCLZKLGMHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S2/c1-8(2,10)5-12-3-6-4-13-7(9)11-6/h4H,3,5,10H2,1-2H3,(H2,9,11).
What are the key properties of 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 217.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 66228739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).