N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C15H28N2S — CID 113492444

IUPACN-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CCC(CNC2=NCC(C(C)C)S2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-15-17-10-14(18-15)11(2)3/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyJOQRHABHQKKNOT-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.92
Rot. Bonds4

About N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492444) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492444
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CCC(CNC2=NCC(C(C)C)S2)CC1
InChIInChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-15-17-10-14(18-15)11(2)3/h11-14H,4-10H2,1-3H3,(H,16,17)
InChIKeyJOQRHABHQKKNOT-UHFFFAOYSA-N
XLogP3.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 113492444) is N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CCC(CNC2=NCC(C(C)C)S2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JOQRHABHQKKNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-4-12-5-7-13(8-6-12)9-16-15-17-10-14(18-15)11(2)3/h11-14H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 268.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).