2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide

C13H21N3O2S — CID 65120198

IUPAC2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-9-3-5-13(18,6-4-9)8-15-11(17)10-7-19-12(14)16-10/h7,9,18H,2-6,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBELDYVFODDEJSZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 65120198) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID65120198
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCC1CCC(O)(CNC(=O)c2csc(N)n2)CC1
InChIInChI=1S/C13H21N3O2S/c1-2-9-3-5-13(18,6-4-9)8-15-11(17)10-7-19-12(14)16-10/h7,9,18H,2-6,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBELDYVFODDEJSZ-UHFFFAOYSA-N
XLogP1.79
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 65124143
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylthiophene-2-carboxamide
CID 65123688
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-amino-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrazole-5-carboxamide
CID 65358827
2-amino-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 62788887
2-amino-N-[(3-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 107413079
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62975755
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
2-(1-aminoethyl)-N-[(1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide (CID 65120198) is 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide is CCC1CCC(O)(CNC(=O)c2csc(N)n2)CC1.
What is the InChIKey of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BELDYVFODDEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-2-9-3-5-13(18,6-4-9)8-15-11(17)10-7-19-12(14)16-10/h7,9,18H,2-6,8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65120198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).