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

C17H31N3S — CID 62754305

IUPACN,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)C2CCC(C)CC2)nc1C
InChIInChI=1S/C17H31N3S/c1-6-11-18-13(3)16-14(4)19-17(21-16)20(5)15-9-7-12(2)8-10-15/h12-13,15,18H,6-11H2,1-5H3
InChIKeyDEQQNPCYPXIUKE-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.53
Rot. Bonds6

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

N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62754305) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62754305
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)C2CCC(C)CC2)nc1C
InChIInChI=1S/C17H31N3S/c1-6-11-18-13(3)16-14(4)19-17(21-16)20(5)15-9-7-12(2)8-10-15/h12-13,15,18H,6-11H2,1-5H3
InChIKeyDEQQNPCYPXIUKE-UHFFFAOYSA-N
XLogP4.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 62754305) is N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(C)C2CCC(C)CC2)nc1C.
What is the InChIKey of N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is DEQQNPCYPXIUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-6-11-18-13(3)16-14(4)19-17(21-16)20(5)15-9-7-12(2)8-10-15/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62754305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).