2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine

C12H17N3S — CID 82496673

IUPAC2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(C)[nH]c2C)cs1
InChIInChI=1S/C12H17N3S/c1-8-6-10(9(2)14-8)11-7-16-12(15-11)4-5-13-3/h6-7,13-14H,4-5H2,1-3H3
InChIKeyUVULYHSCOKWYCL-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.52
Rot. Bonds4

About 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 82496673) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID82496673
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(-c2cc(C)[nH]c2C)cs1
InChIInChI=1S/C12H17N3S/c1-8-6-10(9(2)14-8)11-7-16-12(15-11)4-5-13-3/h6-7,13-14H,4-5H2,1-3H3
InChIKeyUVULYHSCOKWYCL-UHFFFAOYSA-N
XLogP2.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5182552
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 82496673) is 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine is CNCCc1nc(-c2cc(C)[nH]c2C)cs1.
What is the InChIKey of 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is UVULYHSCOKWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-8-6-10(9(2)14-8)11-7-16-12(15-11)4-5-13-3/h6-7,13-14H,4-5H2,1-3H3.
What are the key properties of 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82496673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).