N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine

C10H12N2S2 — CID 60696751

IUPACN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCc1cscn1)c1cccs1
InChIInChI=1S/C10H12N2S2/c1-8(10-3-2-4-14-10)11-5-9-6-13-7-12-9/h2-4,6-8,11H,5H2,1H3
InChIKeyVXLVPFVNDSVMBK-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.06
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine

N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine (PubChem CID 60696751) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
PubChem CID60696751
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
SMILESCC(NCc1cscn1)c1cccs1
InChIInChI=1S/C10H12N2S2/c1-8(10-3-2-4-14-10)11-5-9-6-13-7-12-9/h2-4,6-8,11H,5H2,1H3
InChIKeyVXLVPFVNDSVMBK-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829492
(1S)-1-(2-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81375362
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
(1R)-1-(furan-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81401203
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115715034
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine (CID 60696751) is N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine is CC(NCc1cscn1)c1cccs1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine?
The InChIKey is VXLVPFVNDSVMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-8(10-3-2-4-14-10)11-5-9-6-13-7-12-9/h2-4,6-8,11H,5H2,1H3.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine?
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine has a molecular weight of 224.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60696751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).