N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

C11H9N3S3 — CID 82424491

IUPACN-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(-c3cccs3)s2)cs1
InChIInChI=1S/C11H9N3S3/c1-12-11-14-7(6-16-11)9-5-13-10(17-9)8-3-2-4-15-8/h2-6H,1H3,(H,12,14)
InChIKeyZJYRSKRUXFMETK-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.04
Rot. Bonds3

About N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine

N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 82424491) has the molecular formula C11H9N3S3 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
PubChem CID82424491
Molecular FormulaC11H9N3S3
Molecular Weight279.42 g/mol
Exact Mass279.00
IUPAC NameN-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
SMILESCNc1nc(-c2cnc(-c3cccs3)s2)cs1
InChIInChI=1S/C11H9N3S3/c1-12-11-14-7(6-16-11)9-5-13-10(17-9)8-3-2-4-15-8/h2-6H,1H3,(H,12,14)
InChIKeyZJYRSKRUXFMETK-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
N-methyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82422630
4-[2-(4-ethylphenyl)-1,3-thiazol-5-yl]-N-methyl-1,3-thiazol-2-amine
CID 82424450
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
N-methyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82424843
N-methyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82425351
N-pyrimidin-2-yl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 5344926
2-(2-thiophen-2-yl-1,3-thiazol-5-yl)propan-1-ol
CID 115091257
N-propan-2-yl-5-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1,3,4-thiadiazol-2-amine
CID 82515802
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
3-methyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenol
CID 2215270

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine (CID 82424491) is N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is CNc1nc(-c2cnc(-c3cccs3)s2)cs1.
What is the InChIKey of N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is ZJYRSKRUXFMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S3/c1-12-11-14-7(6-16-11)9-5-13-10(17-9)8-3-2-4-15-8/h2-6H,1H3,(H,12,14).
What are the key properties of N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine?
N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 279.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82424491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).