2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

C14H23N3OS — CID 66389960

IUPAC2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2csc(C(C)N)n2)C1
InChIInChI=1S/C14H23N3OS/c1-8-4-9(2)6-11(5-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQFPHMCDFUUBEFW-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (PubChem CID 66389960) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
PubChem CID66389960
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2csc(C(C)N)n2)C1
InChIInChI=1S/C14H23N3OS/c1-8-4-9(2)6-11(5-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18)
InChIKeyQFPHMCDFUUBEFW-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(2,4-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389764
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3855660
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119477267
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107222289
2-(1-aminoethyl)-N-(1-methylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 66389528
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide (CID 66389960) is 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is CC1CC(C)CC(NC(=O)c2csc(C(C)N)n2)C1.
What is the InChIKey of 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QFPHMCDFUUBEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-8-4-9(2)6-11(5-8)16-13(18)12-7-19-14(17-12)10(3)15/h7-11H,4-6,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).