N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

C18H22N2S — CID 105402382

IUPACN-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2(NC2CC2)c2nccs2)cc1
InChIInChI=1S/C18H22N2S/c1-2-6-14(7-3-1)16-8-4-5-11-18(16,20-15-9-10-15)17-19-12-13-21-17/h1-3,6-7,12-13,15-16,20H,4-5,8-11H2
InChIKeyDLPPFGZJPWRFEO-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.45
Rot. Bonds4

About N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine

N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 105402382) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID105402382
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC NameN-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESc1ccc(C2CCCCC2(NC2CC2)c2nccs2)cc1
InChIInChI=1S/C18H22N2S/c1-2-6-14(7-3-1)16-8-4-5-11-18(16,20-15-9-10-15)17-19-12-13-21-17/h1-3,6-7,12-13,15-16,20H,4-5,8-11H2
InChIKeyDLPPFGZJPWRFEO-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 105402369
N-cyclopropyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61334064
N-cyclopropyl-2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
CID 79951354
N-cyclopropyl-2-methylsulfonyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 65049862
N-cyclopropyl-3-methyl-1-(1,3-thiazol-2-yl)cyclobutan-1-amine
CID 103563943
1-(cyclopropylamino)-2-phenylcyclohexane-1-carboxamide
CID 105401815
N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077299
N-cyclopropyl-3-ethyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 64516678
2-(1-benzhydrylcyclobutyl)-1,3-thiazole
CID 143671126
N-phenyl-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]acetamide
CID 71983374
N-cyclopropyl-5-fluoro-1-(1,3-thiazol-2-yl)-2,3-dihydroinden-1-amine
CID 116531556
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 75377453

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine (CID 105402382) is N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is c1ccc(C2CCCCC2(NC2CC2)c2nccs2)cc1.
What is the InChIKey of N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is DLPPFGZJPWRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-6-14(7-3-1)16-8-4-5-11-18(16,20-15-9-10-15)17-19-12-13-21-17/h1-3,6-7,12-13,15-16,20H,4-5,8-11H2.
What are the key properties of N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine?
N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 298.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 105402382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).