1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine

C16H14ClNS2 — CID 61036692

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(-c3ccccc3)cs2)s1
InChIInChI=1S/C16H14ClNS2/c17-16-7-6-14(20-16)9-18-10-15-8-13(11-19-15)12-4-2-1-3-5-12/h1-8,11,18H,9-10H2
InChIKeyGQDQYPOJHDHALV-UHFFFAOYSA-N
MW319.88 g/mol
LogP5.42
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine

1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine (PubChem CID 61036692) has the molecular formula C16H14ClNS2 and a molecular weight of 319.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
PubChem CID61036692
Molecular FormulaC16H14ClNS2
Molecular Weight319.88 g/mol
Exact Mass319.03
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
SMILESClc1ccc(CNCc2cc(-c3ccccc3)cs2)s1
InChIInChI=1S/C16H14ClNS2/c17-16-7-6-14(20-16)9-18-10-15-8-13(11-19-15)12-4-2-1-3-5-12/h1-8,11,18H,9-10H2
InChIKeyGQDQYPOJHDHALV-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104589022
N-[(4-phenylthiophen-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 61017624
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61282967
N-[(4-phenylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 115866204
3-[(4-phenylthiophen-2-yl)methylamino]propan-1-ol
CID 54904244
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 103700656
(E)-N-[(4-phenylthiophen-2-yl)methyl]pent-3-en-1-amine
CID 115629135
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153
1-(5-chlorothiophen-2-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine
CID 55684111
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-(5-chlorothiophen-2-yl)methanamine
CID 102835909
1-cyclopropyl-2-[(4-phenylthiophen-2-yl)methylamino]ethanol
CID 63298820

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine (CID 61036692) is 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine is Clc1ccc(CNCc2cc(-c3ccccc3)cs2)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
The InChIKey is GQDQYPOJHDHALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS2/c17-16-7-6-14(20-16)9-18-10-15-8-13(11-19-15)12-4-2-1-3-5-12/h1-8,11,18H,9-10H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine?
1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine has a molecular weight of 319.88 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 61036692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).