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

C11H14N2S2 — CID 115883663

IUPACN-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
SMILESc1csc(CCCNCc2cscn2)c1
InChIInChI=1S/C11H14N2S2/c1(3-11-4-2-6-15-11)5-12-7-10-8-14-9-13-10/h2,4,6,8-9,12H,1,3,5,7H2
InChIKeyRAUGYIIXKVVOEJ-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.93
Rot. Bonds6

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

N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 115883663) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID115883663
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine
SMILESc1csc(CCCNCc2cscn2)c1
InChIInChI=1S/C11H14N2S2/c1(3-11-4-2-6-15-11)5-12-7-10-8-14-9-13-10/h2,4,6,8-9,12H,1,3,5,7H2
InChIKeyRAUGYIIXKVVOEJ-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 63829370
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
N-(1,3-thiazol-4-ylmethyl)-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 115635490
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylbutan-2-amine
CID 115715034
3-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 115639498
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 63831315
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 114289826
3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine (CID 115883663) is N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine is c1csc(CCCNCc2cscn2)c1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is RAUGYIIXKVVOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1(3-11-4-2-6-15-11)5-12-7-10-8-14-9-13-10/h2,4,6,8-9,12H,1,3,5,7H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine?
N-(1,3-thiazol-4-ylmethyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 2.93, 6 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)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115883663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).