N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine

C14H19N3S — CID 62797242

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cccnc1
InChIInChI=1S/C14H19N3S/c1-3-6-16-13(12-5-4-7-15-9-12)8-14-17-11(2)10-18-14/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3
InChIKeyVYYSFKNPWLKZLE-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine (PubChem CID 62797242) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
PubChem CID62797242
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C)cs1)c1cccnc1
InChIInChI=1S/C14H19N3S/c1-3-6-16-13(12-5-4-7-15-9-12)8-14-17-11(2)10-18-14/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3
InChIKeyVYYSFKNPWLKZLE-UHFFFAOYSA-N
XLogP3.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371
N-[1-(3-ethyl-2-pyridinyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82740928
N-[1-(3-methoxy-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019257
N-[1-(2-ethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019191
N-ethyl-1-(3-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 62796536
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118
N-[1-(2,6-dimethyl-4-pyridinyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 107504138
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 105019392
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105171430
N-(2-imidazo[2,1-b][1,3]thiazol-6-yl-1-pyridin-3-ylethyl)propan-1-amine
CID 115333445
N-[1-(2-fluoro-4-methylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105019318
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine (CID 62797242) is N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1nc(C)cs1)c1cccnc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is VYYSFKNPWLKZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-3-6-16-13(12-5-4-7-15-9-12)8-14-17-11(2)10-18-14/h4-5,7,9-10,13,16H,3,6,8H2,1-2H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 62797242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).