N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine

C12H16N2S2 — CID 61346978

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nc(C)cs1
InChIInChI=1S/C12H16N2S2/c1-4-13-11(10-6-5-9(3)16-10)12-14-8(2)7-15-12/h5-7,11,13H,4H2,1-3H3
InChIKeyRHHICYPIHFXYMF-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.52
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine

N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 61346978) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID61346978
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)s1)c1nc(C)cs1
InChIInChI=1S/C12H16N2S2/c1-4-13-11(10-6-5-9(3)16-10)12-14-8(2)7-15-12/h5-7,11,13H,4H2,1-3H3
InChIKeyRHHICYPIHFXYMF-UHFFFAOYSA-N
XLogP3.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104771044
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61346977
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 61347758
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61347365
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 61347366
N-[1-benzothiophen-3-yl-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 55108354
1-(4-methyl-1,3-thiazol-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63095222
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-[(3-ethylimidazol-4-yl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 66135355
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[(2,5-dibromophenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43489620
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine (CID 61346978) is N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1ccc(C)s1)c1nc(C)cs1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is RHHICYPIHFXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-4-13-11(10-6-5-9(3)16-10)12-14-8(2)7-15-12/h5-7,11,13H,4H2,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61346978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).