N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

C12H10N2OS2 — CID 746641

IUPACN-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1coc(CNc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H10N2OS2/c1-3-9(15-5-1)7-13-12-14-10(8-17-12)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14)
InChIKeyATOZCTCWGNNSLJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.08
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine

N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 746641) has the molecular formula C12H10N2OS2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID746641
Molecular FormulaC12H10N2OS2
Molecular Weight262.36 g/mol
Exact Mass262.02
IUPAC NameN-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESc1coc(CNc2nc(-c3cccs3)cs2)c1
InChIInChI=1S/C12H10N2OS2/c1-3-9(15-5-1)7-13-12-14-10(8-17-12)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14)
InChIKeyATOZCTCWGNNSLJ-UHFFFAOYSA-N
XLogP4.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 746641) is N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is c1coc(CNc2nc(-c3cccs3)cs2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is ATOZCTCWGNNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS2/c1-3-9(15-5-1)7-13-12-14-10(8-17-12)11-4-2-6-16-11/h1-6,8H,7H2,(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 746641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).