N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine

C11H14N2S2 — CID 79039417

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1nc(CNCc2ccsc2)sc1C
InChIInChI=1S/C11H14N2S2/c1-8-9(2)15-11(13-8)6-12-5-10-3-4-14-7-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFXWVZIXSOUEVJB-UHFFFAOYSA-N
MW238.38 g/mol
LogP3.11
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 79039417) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID79039417
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1nc(CNCc2ccsc2)sc1C
InChIInChI=1S/C11H14N2S2/c1-8-9(2)15-11(13-8)6-12-5-10-3-4-14-7-10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyFXWVZIXSOUEVJB-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60744110
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82102878
1-(4-tert-butylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 55027547
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-3-ylmethanamine
CID 63305628
N-[(5-methyl-1H-imidazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63247799
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
1-(4-propan-2-ylphenyl)-N-(thiophen-3-ylmethyl)methanamine
CID 60976741
N-[(2,4-dimethylphenyl)methyl]-1-thiophen-3-ylmethanamine
CID 60956605
4-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]butan-1-ol
CID 106841669
1-(1-methylpyrrol-3-yl)-N-(thiophen-3-ylmethyl)methanamine
CID 66399003

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine (CID 79039417) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine is Cc1nc(CNCc2ccsc2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is FXWVZIXSOUEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-8-9(2)15-11(13-8)6-12-5-10-3-4-14-7-10/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 238.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 79039417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).