(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine

C14H12N2S2 — CID 28709445

IUPAC(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H12N2S2/c15-9-12-13(11-7-4-8-17-11)16-14(18-12)10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeyDVHDVKGKSHSBIW-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.00
Rot. Bonds3

About (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine

(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 28709445) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
PubChem CID28709445
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C14H12N2S2/c15-9-12-13(11-7-4-8-17-11)16-14(18-12)10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeyDVHDVKGKSHSBIW-UHFFFAOYSA-N
XLogP4.00
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine (CID 28709445) is (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine is NCc1sc(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is DVHDVKGKSHSBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c15-9-12-13(11-7-4-8-17-11)16-14(18-12)10-5-2-1-3-6-10/h1-8H,9,15H2.
What are the key properties of (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine?
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 272.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 28709445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).