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

C23H30N4S2 — CID 167262323

IUPACN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC(C)C)c2)nn1C
InChIInChI=1S/C23H30N4S2/c1-15(2)28-20-13-18(25-22-12-16(3)27(4)26-22)10-11-19(20)21-14-24-23(29-21)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,25,26)
InChIKeyBLLVQFZLKCEBNB-UHFFFAOYSA-N
MW426.66 g/mol
LogP7.14
Rot. Bonds6

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

N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 167262323) has the molecular formula C23H30N4S2 and a molecular weight of 426.66 g/mol. Its IUPAC name is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
PubChem CID167262323
Molecular FormulaC23H30N4S2
Molecular Weight426.66 g/mol
Exact Mass426.19
IUPAC NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC(C)C)c2)nn1C
InChIInChI=1S/C23H30N4S2/c1-15(2)28-20-13-18(25-22-12-16(3)27(4)26-22)10-11-19(20)21-14-24-23(29-21)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,25,26)
InChIKeyBLLVQFZLKCEBNB-UHFFFAOYSA-N
XLogP7.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.66
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-2,5-dimethylpyrazol-3-amine
CID 167262103
[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175354474
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 167262338
N-[3-(tert-butylamino)sulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-1H-pyrazol-5-amine
CID 167262318
[4-[5-[2-carbamoyl-4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
CID 175377630
propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 167262003
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-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
1-[3-(tert-butylamino)oxysulfanyl-4-(2-cyclohexyl-1,3-thiazol-5-yl)phenyl]-3-(1-phenylethyl)urea
CID 167083645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine (CID 167262323) is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(Nc2ccc(-c3cnc(C4CCCCC4)s3)c(SC(C)C)c2)nn1C.
What is the InChIKey of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is BLLVQFZLKCEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4S2/c1-15(2)28-20-13-18(25-22-12-16(3)27(4)26-22)10-11-19(20)21-14-24-23(29-21)17-8-6-5-7-9-17/h10-15,17H,5-9H2,1-4H3,(H,25,26).
What are the key properties of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine?
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 426.66 g/mol, XLogP of 7.14, 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-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 167262323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).