(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine

C8H8N2S2 — CID 60672525

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H8N2S2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3,9H2
InChIKeyCGCRNKUACCBAPB-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.33
Rot. Bonds2

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine

(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 60672525) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
PubChem CID60672525
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1csc(-c2ccsc2)n1
InChIInChI=1S/C8H8N2S2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3,9H2
InChIKeyCGCRNKUACCBAPB-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine (CID 60672525) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine is NCc1csc(-c2ccsc2)n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is CGCRNKUACCBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c9-3-7-5-12-8(10-7)6-1-2-11-4-6/h1-2,4-5H,3,9H2.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 196.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 60672525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).