4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline

C17H17N3S — CID 43205876

IUPAC4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccccn3)cc2)cs1
InChIInChI=1S/C17H17N3S/c1-12(16-5-3-4-10-18-16)19-15-8-6-14(7-9-15)17-11-21-13(2)20-17/h3-12,19H,1-2H3
InChIKeyOEDKKXRMQMALOQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.69
Rot. Bonds4

About 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline

4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43205876) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43205876
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
SMILESCc1nc(-c2ccc(NC(C)c3ccccn3)cc2)cs1
InChIInChI=1S/C17H17N3S/c1-12(16-5-3-4-10-18-16)19-15-8-6-14(7-9-15)17-11-21-13(2)20-17/h3-12,19H,1-2H3
InChIKeyOEDKKXRMQMALOQ-UHFFFAOYSA-N
XLogP4.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993196
4-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylaniline
CID 28682074
4-(2-methyl-1,3-thiazol-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43097732
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-phenylaniline
CID 43716894
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
methyl 2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanoate
CID 66171884
2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-phenylacetamide
CID 47019877
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-N-(2-propan-2-ylphenyl)propanamide
CID 25409868
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline (CID 43205876) is 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline is Cc1nc(-c2ccc(NC(C)c3ccccn3)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is OEDKKXRMQMALOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-12(16-5-3-4-10-18-16)19-15-8-6-14(7-9-15)17-11-21-13(2)20-17/h3-12,19H,1-2H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline?
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline has a molecular weight of 295.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43205876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).