N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine

C17H31N3S — CID 63454816

IUPACN,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCC1CCC(NCc2cnc(N(CC)CC)s2)CC1
InChIInChI=1S/C17H31N3S/c1-4-7-14-8-10-15(11-9-14)18-12-16-13-19-17(21-16)20(5-2)6-3/h13-15,18H,4-12H2,1-3H3
InChIKeyRNQXEDLCCLVFGK-UHFFFAOYSA-N
MW309.52 g/mol
LogP4.44
Rot. Bonds8

About N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 63454816) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID63454816
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCCCC1CCC(NCc2cnc(N(CC)CC)s2)CC1
InChIInChI=1S/C17H31N3S/c1-4-7-14-8-10-15(11-9-14)18-12-16-13-19-17(21-16)20(5-2)6-3/h13-15,18H,4-12H2,1-3H3
InChIKeyRNQXEDLCCLVFGK-UHFFFAOYSA-N
XLogP4.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 43778486
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
CID 62755153
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 62753260
N,N-diethyl-5-[(thiolan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 103701514
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
5-[[(2,3-dimethylcyclopentyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 64907380
4-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 106124874
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
5-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 83010249
5-[[(2,2-dimethylcyclohexyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 79861333
2-[[3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042243

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine (CID 63454816) is N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine is CCCC1CCC(NCc2cnc(N(CC)CC)s2)CC1.
What is the InChIKey of N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is RNQXEDLCCLVFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-7-14-8-10-15(11-9-14)18-12-16-13-19-17(21-16)20(5-2)6-3/h13-15,18H,4-12H2,1-3H3.
What are the key properties of N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 309.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63454816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).