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

C21H25N3OS2 — CID 167262338

IUPACN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cc(-c2cnc(C3CCCCC3)s2)c(SC2CC2)cc1NC1=NCCO1
InChIInChI=1S/C21H25N3OS2/c1-2-4-14(5-3-1)20-23-13-19(27-20)17-9-6-15(24-21-22-10-11-25-21)12-18(17)26-16-7-8-16/h6,9,12-14,16H,1-5,7-8,10-11H2,(H,22,24)
InChIKeyIAHHMDXKSWMMTE-UHFFFAOYSA-N
MW399.59 g/mol
LogP5.91
Rot. Bonds5

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

N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 167262338) has the molecular formula C21H25N3OS2 and a molecular weight of 399.59 g/mol. Its IUPAC name is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID167262338
Molecular FormulaC21H25N3OS2
Molecular Weight399.59 g/mol
Exact Mass399.14
IUPAC NameN-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESc1cc(-c2cnc(C3CCCCC3)s2)c(SC2CC2)cc1NC1=NCCO1
InChIInChI=1S/C21H25N3OS2/c1-2-4-14(5-3-1)20-23-13-19(27-20)17-9-6-15(24-21-22-10-11-25-21)12-18(17)26-16-7-8-16/h6,9,12-14,16H,1-5,7-8,10-11H2,(H,22,24)
InChIKeyIAHHMDXKSWMMTE-UHFFFAOYSA-N
XLogP5.91
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.59
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-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
2-cyclohexyl-5-(2-cyclopropylsulfanyl-4-pyridin-2-yloxyphenyl)-1,3-thiazole
CID 167262626
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-propan-2-ylsulfanylphenyl]-1,5-dimethylpyrazol-3-amine
CID 167262323
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
5-bromo-2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-ethylbenzenesulfonamide
CID 155115482
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
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
CID 155693695
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-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 167262338) is N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine is c1cc(-c2cnc(C3CCCCC3)s2)c(SC2CC2)cc1NC1=NCCO1.
What is the InChIKey of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is IAHHMDXKSWMMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS2/c1-2-4-14(5-3-1)20-23-13-19(27-20)17-9-6-15(24-21-22-10-11-25-21)12-18(17)26-16-7-8-16/h6,9,12-14,16H,1-5,7-8,10-11H2,(H,22,24).
What are the key properties of N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-cyclopropylsulfanylphenyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 399.59 g/mol, XLogP of 5.91, 5 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]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 167262338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).