(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine

C14H19N3S — CID 81344838

IUPAC(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1nc(C)c(C(C)N[C@@H](C)c2cccnc2)s1
InChIInChI=1S/C14H19N3S/c1-9(13-6-5-7-15-8-13)16-10(2)14-11(3)17-12(4)18-14/h5-10,16H,1-4H3/t9-,10?/m0/s1
InChIKeyWJOXLXXKLKQGBC-RGURZIINSA-N
MW261.39 g/mol
LogP3.57
Rot. Bonds4

About (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine

(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine (PubChem CID 81344838) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
PubChem CID81344838
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
SMILESCc1nc(C)c(C(C)N[C@@H](C)c2cccnc2)s1
InChIInChI=1S/C14H19N3S/c1-9(13-6-5-7-15-8-13)16-10(2)14-11(3)17-12(4)18-14/h5-10,16H,1-4H3/t9-,10?/m0/s1
InChIKeyWJOXLXXKLKQGBC-RGURZIINSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81391934
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 61193442
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
(1S)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81345327
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81406480
1-(4-iodophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81345023

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine (CID 81344838) is (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine is Cc1nc(C)c(C(C)N[C@@H](C)c2cccnc2)s1.
What is the InChIKey of (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine?
The InChIKey is WJOXLXXKLKQGBC-RGURZIINSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9(13-6-5-7-15-8-13)16-10(2)14-11(3)17-12(4)18-14/h5-10,16H,1-4H3/t9-,10?/m0/s1.
What are the key properties of (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine?
(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81344838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).