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

C11H13N3S — CID 96824409

IUPAC4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCc1ccncc1N[C@H](C)c1nccs1
InChIInChI=1S/C11H13N3S/c1-8-3-4-12-7-10(8)14-9(2)11-13-5-6-15-11/h3-7,9,14H,1-2H3/t9-/m1/s1
InChIKeyAQKYISFDNNELPF-SECBINFHSA-N
MW219.31 g/mol
LogP3.02
Rot. Bonds3

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

4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (PubChem CID 96824409) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
PubChem CID96824409
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine
SMILESCc1ccncc1N[C@H](C)c1nccs1
InChIInChI=1S/C11H13N3S/c1-8-3-4-12-7-10(8)14-9(2)11-13-5-6-15-11/h3-7,9,14H,1-2H3/t9-/m1/s1
InChIKeyAQKYISFDNNELPF-SECBINFHSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
4-methyl-N-(1-pyridin-4-ylethyl)pyridin-3-amine
CID 63329623
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
N-[1-(1,3-benzothiazol-2-yl)ethyl]-4-methylpyridin-3-amine
CID 63329441
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
2-methoxy-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988281
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 114082718
5-bromo-4-fluoro-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 103271867
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
4-methyl-2-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-2,5-diamine
CID 79176056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine (CID 96824409) is 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is Cc1ccncc1N[C@H](C)c1nccs1.
What is the InChIKey of 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
The InChIKey is AQKYISFDNNELPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-3-4-12-7-10(8)14-9(2)11-13-5-6-15-11/h3-7,9,14H,1-2H3/t9-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine?
4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine has a molecular weight of 219.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 96824409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).