4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C17H16N4S2 — CID 145104912

IUPAC4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(NC4=NCCCN4)n3)cs2)cc1
InChIInChI=1S/C17H16N4S2/c1-2-5-12(6-3-1)15-9-13(10-22-15)14-11-23-17(20-14)21-16-18-7-4-8-19-16/h1-3,5-6,9-11H,4,7-8H2,(H2,18,19,20,21)
InChIKeyIMZOTEHBLYVCJG-UHFFFAOYSA-N
MW340.48 g/mol
LogP4.30
Rot. Bonds3

About 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104912) has the molecular formula C17H16N4S2 and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104912
Molecular FormulaC17H16N4S2
Molecular Weight340.48 g/mol
Exact Mass340.08
IUPAC Name4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2cc(-c3csc(NC4=NCCCN4)n3)cs2)cc1
InChIInChI=1S/C17H16N4S2/c1-2-5-12(6-3-1)15-9-13(10-22-15)14-11-23-17(20-14)21-16-18-7-4-8-19-16/h1-3,5-6,9-11H,4,7-8H2,(H2,18,19,20,21)
InChIKeyIMZOTEHBLYVCJG-UHFFFAOYSA-N
XLogP4.30
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104912) is 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is c1ccc(-c2cc(-c3csc(NC4=NCCCN4)n3)cs2)cc1.
What is the InChIKey of 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IMZOTEHBLYVCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S2/c1-2-5-12(6-3-1)15-9-13(10-22-15)14-11-23-17(20-14)21-16-18-7-4-8-19-16/h1-3,5-6,9-11H,4,7-8H2,(H2,18,19,20,21).
What are the key properties of 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 340.48 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).