N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine

C23H28N4S2 — CID 167262103

IUPACN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)n(C)n1
InChIInChI=1S/C23H28N4S2/c1-15-12-22(27(2)26-15)25-17-8-11-19(20(13-17)28-18-9-10-18)21-14-24-23(29-21)16-6-4-3-5-7-16/h8,11-14,16,18,25H,3-7,9-10H2,1-2H3
InChIKeyLGSXHGMYAYCVLL-UHFFFAOYSA-N
MW424.64 g/mol
LogP6.90
Rot. Bonds6

About N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine

N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 167262103) has the molecular formula C23H28N4S2 and a molecular weight of 424.64 g/mol. Its IUPAC name is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine
PubChem CID167262103
Molecular FormulaC23H28N4S2
Molecular Weight424.64 g/mol
Exact Mass424.18
IUPAC NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)n(C)n1
InChIInChI=1S/C23H28N4S2/c1-15-12-22(27(2)26-15)25-17-8-11-19(20(13-17)28-18-9-10-18)21-14-24-23(29-21)16-6-4-3-5-7-16/h8,11-14,16,18,25H,3-7,9-10H2,1-2H3
InChIKeyLGSXHGMYAYCVLL-UHFFFAOYSA-N
XLogP6.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.64
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine with MolForge

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Related Compounds

N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 167262338
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
CID 167262323
2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole
CID 167262626
N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-1H-pyrazol-5-amine
CID 167262318
propan-2-yl N-[3-cyclopropylsulfanyl-4-[2-[4-(methylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
CID 167263056
S-[2-(2-cyclohexyl-1,3-thiazol-5-yl)-5-[[3-(2-methylpropyl)oxetan-3-yl]amino]phenyl]thiohydroxylamine
CID 169263598
4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
CID 169263372
1-[3-(tert-butylamino)oxysulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-(1-phenylethyl)urea
CID 167083645
1-benzyl-3-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]urea
CID 155429003
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethyl-5-[(2-oxo-1H-pyrimidin-6-yl)amino]benzenesulfonamide
CID 155693552
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine (CID 167262103) is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine is Cc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC3CC3)c2)n(C)n1.
What is the InChIKey of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is LGSXHGMYAYCVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S2/c1-15-12-22(27(2)26-15)25-17-8-11-19(20(13-17)28-18-9-10-18)21-14-24-23(29-21)16-6-4-3-5-7-16/h8,11-14,16,18,25H,3-7,9-10H2,1-2H3.
What are the key properties of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine?
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 424.64 g/mol, XLogP of 6.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 167262103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).