N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine

C11H14N2S2 — CID 61347143

IUPACN-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-2-5-12-10(9-4-3-7-14-9)11-13-6-8-15-11/h3-4,6-8,10,12H,2,5H2,1H3
InChIKeyRWOZTLLBZWYUHL-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.29
Rot. Bonds5

About N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine

N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine (PubChem CID 61347143) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
PubChem CID61347143
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccs1)c1nccs1
InChIInChI=1S/C11H14N2S2/c1-2-5-12-10(9-4-3-7-14-9)11-13-6-8-15-11/h3-4,6-8,10,12H,2,5H2,1H3
InChIKeyRWOZTLLBZWYUHL-UHFFFAOYSA-N
XLogP3.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
N-[(5-bromo-2-pyridinyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 113393885
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[thiophen-2-yl-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989890

Frequently Asked Questions

What is the IUPAC name of N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine (CID 61347143) is N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cccs1)c1nccs1.
What is the InChIKey of N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine?
The InChIKey is RWOZTLLBZWYUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-2-5-12-10(9-4-3-7-14-9)11-13-6-8-15-11/h3-4,6-8,10,12H,2,5H2,1H3.
What are the key properties of N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine?
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61347143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).