4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

C15H16ClN3S — CID 123462406

IUPAC4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1sc(NC2=NCCCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(20-10)18-13-4-2-3-9-17-13/h5-8H,2-4,9H2,1H3,(H,17,18,19)
InChIKeyLIOFCQXJXNIJRY-UHFFFAOYSA-N
MW305.83 g/mol
LogP4.77
Rot. Bonds2

About 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 123462406) has the molecular formula C15H16ClN3S and a molecular weight of 305.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID123462406
Molecular FormulaC15H16ClN3S
Molecular Weight305.83 g/mol
Exact Mass305.08
IUPAC Name4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESCc1sc(NC2=NCCCC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(20-10)18-13-4-2-3-9-17-13/h5-8H,2-4,9H2,1H3,(H,17,18,19)
InChIKeyLIOFCQXJXNIJRY-UHFFFAOYSA-N
XLogP4.77
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-chlorophenyl)-5-methyl-N-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine
CID 118713967
cis-(1R,2S)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 26291745
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
N-(2-chlorophenyl)-5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 53338366
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
(1R,2S,3R,4S)-3-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51417002
N-(2,4-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126048866
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-(3,5-dichlorophenyl)-4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055578
N-(2-chlorophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2368851
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2538484
N-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine bromide
CID 21176981

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (CID 123462406) is 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is Cc1sc(NC2=NCCCC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is LIOFCQXJXNIJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3S/c1-10-14(11-5-7-12(16)8-6-11)19-15(20-10)18-13-4-2-3-9-17-13/h5-8H,2-4,9H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 305.83 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123462406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).