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

C16H30N4S — CID 62751228

IUPACN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)C2CCN(C)CC2)nc1C
InChIInChI=1S/C16H30N4S/c1-6-9-17-12(2)15-13(3)18-16(21-15)20(5)14-7-10-19(4)11-8-14/h12,14,17H,6-11H2,1-5H3
InChIKeyKWWWITUFDHODSE-UHFFFAOYSA-N
MW310.51 g/mol
LogP3.04
Rot. Bonds6

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

N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62751228) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62751228
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1sc(N(C)C2CCN(C)CC2)nc1C
InChIInChI=1S/C16H30N4S/c1-6-9-17-12(2)15-13(3)18-16(21-15)20(5)14-7-10-19(4)11-8-14/h12,14,17H,6-11H2,1-5H3
InChIKeyKWWWITUFDHODSE-UHFFFAOYSA-N
XLogP3.04
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-N-(4-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 62754305
N-(1-ethylpiperidin-4-yl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62754118
N-(cyclopentylmethyl)-N,4-dimethyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63654925
N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63025897
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750110
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764465
N-[1-(2-cyclooctyl-4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 80610580
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
N-[1-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62750048
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 62751228) is N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1sc(N(C)C2CCN(C)CC2)nc1C.
What is the InChIKey of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is KWWWITUFDHODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-6-9-17-12(2)15-13(3)18-16(21-15)20(5)14-7-10-19(4)11-8-14/h12,14,17H,6-11H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 310.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62751228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).