4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

C15H12ClN3S — CID 31264902

IUPAC4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3S/c1-10-14(11-5-4-6-12(16)9-11)19-15(20-10)18-13-7-2-3-8-17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyCPDMTVSIMOTUPX-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.91
Rot. Bonds3

About 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 31264902) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID31264902
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2ccccn2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3S/c1-10-14(11-5-4-6-12(16)9-11)19-15(20-10)18-13-7-2-3-8-17-13/h2-9H,1H3,(H,17,18,19)
InChIKeyCPDMTVSIMOTUPX-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 31264902) is 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is Cc1sc(Nc2ccccn2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is CPDMTVSIMOTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-10-14(11-5-4-6-12(16)9-11)19-15(20-10)18-13-7-2-3-8-17-13/h2-9H,1H3,(H,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 31264902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).