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

C12H16N2S2 — CID 61284440

IUPAC2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1nccs1)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-9(2)12(10-4-3-6-15-10)14-8-11-13-5-7-16-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeyIXVPEEHJIMVUOU-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.69
Rot. Bonds5

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

2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (PubChem CID 61284440) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
PubChem CID61284440
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
SMILESCC(C)C(NCc1nccs1)c1cccs1
InChIInChI=1S/C12H16N2S2/c1-9(2)12(10-4-3-6-15-10)14-8-11-13-5-7-16-11/h3-7,9,12,14H,8H2,1-2H3
InChIKeyIXVPEEHJIMVUOU-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
(1S)-1-(furan-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81403465
2-methyl-N-(1,2-oxazol-3-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 79002812
2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 62749583
4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]phenol
CID 43225843
N,N-dimethyl-N'-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 55208645
2-methyl-N-(quinoxalin-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine
CID 43786598
N-(furan-3-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63000081
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)propan-1-amine
CID 61166031
3-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)butan-1-amine
CID 43225862
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine (CID 61284440) is 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is CC(C)C(NCc1nccs1)c1cccs1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
The InChIKey is IXVPEEHJIMVUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(2)12(10-4-3-6-15-10)14-8-11-13-5-7-16-11/h3-7,9,12,14H,8H2,1-2H3.
What are the key properties of 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3-thiazol-2-ylmethyl)-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 61284440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).