N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C17H31N3S — CID 63513731

IUPACN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCC(CC)CC2)s1
InChIInChI=1S/C17H31N3S/c1-5-11-18-13(3)16-12-19-17(21-16)20(4)15-9-7-14(6-2)8-10-15/h12-15,18H,5-11H2,1-4H3
InChIKeyLQWRYRYTJFKBCK-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.61
Rot. Bonds7

About N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 63513731) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID63513731
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1cnc(N(C)C2CCC(CC)CC2)s1
InChIInChI=1S/C17H31N3S/c1-5-11-18-13(3)16-12-19-17(21-16)20(4)15-9-7-14(6-2)8-10-15/h12-15,18H,5-11H2,1-4H3
InChIKeyLQWRYRYTJFKBCK-UHFFFAOYSA-N
XLogP4.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 63513731) is N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1cnc(N(C)C2CCC(CC)CC2)s1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is LQWRYRYTJFKBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-5-11-18-13(3)16-12-19-17(21-16)20(4)15-9-7-14(6-2)8-10-15/h12-15,18H,5-11H2,1-4H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63513731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).