N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine

C13H23N3S — CID 66390760

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2csc(CCN)n2)CCCCC1
InChIInChI=1S/C13H23N3S/c1-13(6-3-2-4-7-13)15-9-11-10-17-12(16-11)5-8-14/h10,15H,2-9,14H2,1H3
InChIKeyVULFHFUEJRTQNF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.46
Rot. Bonds5

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine (PubChem CID 66390760) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
PubChem CID66390760
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
SMILESCC1(NCc2csc(CCN)n2)CCCCC1
InChIInChI=1S/C13H23N3S/c1-13(6-3-2-4-7-13)15-9-11-10-17-12(16-11)5-8-14/h10,15H,2-9,14H2,1H3
InChIKeyVULFHFUEJRTQNF-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 66380830
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114159739
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2-dimethylcyclopropan-1-amine
CID 66390766
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 115765812
4-[2-[(1-methylcyclopentyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65483108
2-[4-[(4,4-dimethylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386486
N-[[4-(2-aminoethyl)phenyl]methyl]-1-methylcyclopentan-1-amine
CID 64687047
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 115757938
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylcyclohexan-1-amine
CID 115331589
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine (CID 66390760) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine is CC1(NCc2csc(CCN)n2)CCCCC1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
The InChIKey is VULFHFUEJRTQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(6-3-2-4-7-13)15-9-11-10-17-12(16-11)5-8-14/h10,15H,2-9,14H2,1H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-1-methylcyclohexan-1-amine is sourced from PubChem (CID 66390760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).