4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine

C11H15N3S3 — CID 82423280

IUPAC4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(CSC)s2)cs1
InChIInChI=1S/C11H15N3S3/c1-3-4-12-11-14-8(6-16-11)9-5-13-10(17-9)7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyAZAXKSJKBLJRGY-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.95
Rot. Bonds6

About 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine

4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 82423280) has the molecular formula C11H15N3S3 and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID82423280
Molecular FormulaC11H15N3S3
Molecular Weight285.46 g/mol
Exact Mass285.04
IUPAC Name4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(CSC)s2)cs1
InChIInChI=1S/C11H15N3S3/c1-3-4-12-11-14-8(6-16-11)9-5-13-10(17-9)7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyAZAXKSJKBLJRGY-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-propan-2-yl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82514661
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
N-(2-methylpropyl)-4-(2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422498
4-(2-cyclohexyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82423690
4-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423315
4-[2-(diethylaminomethyl)-1,3-thiazol-5-yl]-N-ethyl-1,3-thiazol-2-amine
CID 82424663
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423655
5-[2-(ethylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82423311
4-[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82424630
4-[2-(2-methoxyethyl)-1,3-thiazol-5-yl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 82422365
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
N-methyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]methanamine
CID 131042698

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (CID 82423280) is 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2cnc(CSC)s2)cs1.
What is the InChIKey of 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is AZAXKSJKBLJRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S3/c1-3-4-12-11-14-8(6-16-11)9-5-13-10(17-9)7-15-2/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 285.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82423280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).