3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline

C15H15ClN4S — CID 60942438

IUPAC3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCc1nc(C(C)Nc2cccc(Cl)c2-n2cccn2)cs1
InChIInChI=1S/C15H15ClN4S/c1-10(14-9-21-11(2)19-14)18-13-6-3-5-12(16)15(13)20-8-4-7-17-20/h3-10,18H,1-2H3
InChIKeyNIKBUQRZFWBZPT-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.46
Rot. Bonds4

About 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline

3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline (PubChem CID 60942438) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline
PubChem CID60942438
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline
SMILESCc1nc(C(C)Nc2cccc(Cl)c2-n2cccn2)cs1
InChIInChI=1S/C15H15ClN4S/c1-10(14-9-21-11(2)19-14)18-13-6-3-5-12(16)15(13)20-8-4-7-17-20/h3-10,18H,1-2H3
InChIKeyNIKBUQRZFWBZPT-UHFFFAOYSA-N
XLogP4.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 87007040
2-chloro-6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 66252412
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
2-N,2-N-dimethyl-3-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2,3-diamine
CID 43707985
2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43683530
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
3,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670072
3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
CID 61325153
8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43731624
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,1,3-benzoselenadiazol-4-amine
CID 43716043
6-chloro-8-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]quinolin-5-amine
CID 43674677
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724564

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline?
The IUPAC name of 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline (CID 60942438) is 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline is Cc1nc(C(C)Nc2cccc(Cl)c2-n2cccn2)cs1.
What is the InChIKey of 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline?
The InChIKey is NIKBUQRZFWBZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c1-10(14-9-21-11(2)19-14)18-13-6-3-5-12(16)15(13)20-8-4-7-17-20/h3-10,18H,1-2H3.
What are the key properties of 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline?
3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline has a molecular weight of 318.83 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 60942438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).