4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

C14H10ClN3S — CID 2725904

IUPAC4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H10ClN3S/c15-11-5-3-10(4-6-11)13-9-19-14(18-13)17-12-2-1-7-16-8-12/h1-9H,(H,17,18)
InChIKeyYTVIGZGBMRHPFK-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.60
Rot. Bonds3

About 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 2725904) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID2725904
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(Nc3cccnc3)n2)cc1
InChIInChI=1S/C14H10ClN3S/c15-11-5-3-10(4-6-11)13-9-19-14(18-13)17-12-2-1-7-16-8-12/h1-9H,(H,17,18)
InChIKeyYTVIGZGBMRHPFK-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine (CID 2725904) is 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is Clc1ccc(-c2csc(Nc3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is YTVIGZGBMRHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-11-5-3-10(4-6-11)13-9-19-14(18-13)17-12-2-1-7-16-8-12/h1-9H,(H,17,18).
What are the key properties of 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 287.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).