5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine

C15H27N3S — CID 62755153

IUPAC5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C15H27N3S/c1-4-12(5-2)11-18(6-3)15-17-10-14(19-15)9-16-13-7-8-13/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyVADPGMIZIIGKQI-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.66
Rot. Bonds9

About 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine

5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine (PubChem CID 62755153) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
PubChem CID62755153
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine
SMILESCCC(CC)CN(CC)c1ncc(CNC2CC2)s1
InChIInChI=1S/C15H27N3S/c1-4-12(5-2)11-18(6-3)15-17-10-14(19-15)9-16-13-7-8-13/h10,12-13,16H,4-9,11H2,1-3H3
InChIKeyVADPGMIZIIGKQI-UHFFFAOYSA-N
XLogP3.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.66
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
N,N-diethyl-5-[[(4-propylcyclohexyl)amino]methyl]-1,3-thiazol-2-amine
CID 63454816
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-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 62749687
N,N-diethyl-5-[[(2-methyloxan-4-yl)amino]methyl]-1,3-thiazol-2-amine
CID 103887950
N,N-diethyl-5-[[(1-methylpiperidin-3-yl)amino]methyl]-1,3-thiazol-2-amine
CID 61211415
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
5-[[(2,3-dimethylcyclopentyl)amino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 64907380
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)-1,3-thiazol-2-amine
CID 79482761
2-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 62293189
N,N-diethyl-5-[[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]-1,3-thiazol-2-amine
CID 95610713

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine (CID 62755153) is 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine is CCC(CC)CN(CC)c1ncc(CNC2CC2)s1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
The InChIKey is VADPGMIZIIGKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-12(5-2)11-18(6-3)15-17-10-14(19-15)9-16-13-7-8-13/h10,12-13,16H,4-9,11H2,1-3H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62755153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).