N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

C19H19ClN2S — CID 23804659

IUPACN-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1Cl
InChIInChI=1S/C19H19ClN2S/c1-12(2)14-5-7-15(8-6-14)18-11-23-19(22-18)21-16-9-4-13(3)17(20)10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyFNSJYLSAOUQZNJ-UHFFFAOYSA-N
MW342.90 g/mol
LogP6.64
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine

N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 23804659) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID23804659
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1Cl
InChIInChI=1S/C19H19ClN2S/c1-12(2)14-5-7-15(8-6-14)18-11-23-19(22-18)21-16-9-4-13(3)17(20)10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyFNSJYLSAOUQZNJ-UHFFFAOYSA-N
XLogP6.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.90
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
N-(3-chloro-4-methylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-amine
CID 19132871
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
1-[4-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564238
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
N-[4-[2-(3-propan-2-ylanilino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166340287
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
4-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101049

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 23804659) is N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is FNSJYLSAOUQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c1-12(2)14-5-7-15(8-6-14)18-11-23-19(22-18)21-16-9-4-13(3)17(20)10-16/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine?
N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 342.90 g/mol, XLogP of 6.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23804659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).