N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine

C17H30N2S — CID 140539591

IUPACN-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CC(NC2=NCCS2)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2S/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)19-17-18-11-12-20-17/h14-16H,1-13H2,(H,18,19)
InChIKeyBXTQYOIJXLIBKM-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.60
Rot. Bonds4

About N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 140539591) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID140539591
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CC(NC2=NCCS2)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2S/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)19-17-18-11-12-20-17/h14-16H,1-13H2,(H,18,19)
InChIKeyBXTQYOIJXLIBKM-UHFFFAOYSA-N
XLogP4.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 140539591) is N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CCC(CC(NC2=NCCS2)C2CCCCC2)CC1.
What is the InChIKey of N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BXTQYOIJXLIBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-3-7-14(8-4-1)13-16(15-9-5-2-6-10-15)19-17-18-11-12-20-17/h14-16H,1-13H2,(H,18,19).
What are the key properties of N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 140539591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).