3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine

C16H22N4OS — CID 144744385

IUPAC3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
SMILESCc1noc(C)c1-c1cc(N)c(N)c(SNC2CCCC2)c1
InChIInChI=1S/C16H22N4OS/c1-9-15(10(2)21-19-9)11-7-13(17)16(18)14(8-11)22-20-12-5-3-4-6-12/h7-8,12,20H,3-6,17-18H2,1-2H3
InChIKeyLTAOKMFHKIETKM-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.66
Rot. Bonds4

About 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine

3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine (PubChem CID 144744385) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
PubChem CID144744385
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
SMILESCc1noc(C)c1-c1cc(N)c(N)c(SNC2CCCC2)c1
InChIInChI=1S/C16H22N4OS/c1-9-15(10(2)21-19-9)11-7-13(17)16(18)14(8-11)22-20-12-5-3-4-6-12/h7-8,12,20H,3-6,17-18H2,1-2H3
InChIKeyLTAOKMFHKIETKM-UHFFFAOYSA-N
XLogP3.66
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[4-(cyclopentylamino)sulfanyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]amino]propanoate
CID 145336399
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol
CID 134457385
4-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]cyclohexan-1-ol;ethane
CID 142331207
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628
1-N-(3,3-difluorocyclopentyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine
CID 153291200
N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxybenzenesulfonamide
CID 53054200
3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(methylamino)benzoic acid
CID 141423687
1-(cyclobutylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-4-amine
CID 121375838
N'-[2-amino-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylphenyl]methanimidamide
CID 143121623
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(trifluoromethoxy)aniline
CID 156621301
N-(2,5-dichloro-4-methylphenyl)sulfanylcyclohexanamine
CID 142297693
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine (CID 144744385) is 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine is Cc1noc(C)c1-c1cc(N)c(N)c(SNC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
The InChIKey is LTAOKMFHKIETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-9-15(10(2)21-19-9)11-7-13(17)16(18)14(8-11)22-20-12-5-3-4-6-12/h7-8,12,20H,3-6,17-18H2,1-2H3.
What are the key properties of 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine?
3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine has a molecular weight of 318.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)sulfanyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 144744385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).