1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C15H14N2S2 — CID 104589022

IUPAC1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(-c2csc(CNCc3cncs3)c2)cc1
InChIInChI=1S/C15H14N2S2/c1-2-4-12(5-3-1)13-6-14(18-10-13)7-16-8-15-9-17-11-19-15/h1-6,9-11,16H,7-8H2
InChIKeyYPBTUHBCUZMJQF-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 104589022) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID104589022
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESc1ccc(-c2csc(CNCc3cncs3)c2)cc1
InChIInChI=1S/C15H14N2S2/c1-2-4-12(5-3-1)13-6-14(18-10-13)7-16-8-15-9-17-11-19-15/h1-6,9-11,16H,7-8H2
InChIKeyYPBTUHBCUZMJQF-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 61036692
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
2,2-difluoro-2-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 116789344
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
1-(2-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62758358
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
N'-(2-methoxyethyl)-N'-methyl-N-[(4-phenylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62844842

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 104589022) is 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is c1ccc(-c2csc(CNCc3cncs3)c2)cc1.
What is the InChIKey of 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is YPBTUHBCUZMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-4-12(5-3-1)13-6-14(18-10-13)7-16-8-15-9-17-11-19-15/h1-6,9-11,16H,7-8H2.
What are the key properties of 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 286.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 104589022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).