4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine

C11H16N4S2 — CID 54244678

IUPAC4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCCc1csc(NCCc2csc(N)n2)n1
InChIInChI=1S/C11H16N4S2/c1-2-3-8-7-17-11(15-8)13-5-4-9-6-16-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQSKIWIWVJMASNW-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine

4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine (PubChem CID 54244678) has the molecular formula C11H16N4S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
PubChem CID54244678
Molecular FormulaC11H16N4S2
Molecular Weight268.41 g/mol
Exact Mass268.08
IUPAC Name4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine
SMILESCCCc1csc(NCCc2csc(N)n2)n1
InChIInChI=1S/C11H16N4S2/c1-2-3-8-7-17-11(15-8)13-5-4-9-6-16-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,14)(H,13,15)
InChIKeyQSKIWIWVJMASNW-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-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

ethane;4-propyl-1,3-thiazol-2-amine
CID 155733982
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
4-[2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65484657
4-[2-(heptan-2-ylamino)ethyl]-1,3-thiazol-2-amine
CID 65485245
4-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 61325594
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N',N'-diethylbutane-1,4-diamine
CID 84761995
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
4-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485633
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
4-[2-[(1-methylcyclopentyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483108
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
(2R)-2-amino-N-(4-propyl-1,3-thiazol-2-yl)propanamide
CID 120873882

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine (CID 54244678) is 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine is CCCc1csc(NCCc2csc(N)n2)n1.
What is the InChIKey of 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is QSKIWIWVJMASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S2/c1-2-3-8-7-17-11(15-8)13-5-4-9-6-16-10(12)14-9/h6-7H,2-5H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine?
4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-propyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54244678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).