2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

C13H21N3O2S — CID 103966699

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNc1nc(CC(=O)NCC2(CO)CCCCC2)cs1
InChIInChI=1S/C13H21N3O2S/c14-12-16-10(7-19-12)6-11(18)15-8-13(9-17)4-2-1-3-5-13/h7,17H,1-6,8-9H2,(H2,14,16)(H,15,18)
InChIKeyWLIORFOOWAXXEY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.33
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (PubChem CID 103966699) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
PubChem CID103966699
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
SMILESNc1nc(CC(=O)NCC2(CO)CCCCC2)cs1
InChIInChI=1S/C13H21N3O2S/c14-12-16-10(7-19-12)6-11(18)15-8-13(9-17)4-2-1-3-5-13/h7,17H,1-6,8-9H2,(H2,14,16)(H,15,18)
InChIKeyWLIORFOOWAXXEY-UHFFFAOYSA-N
XLogP1.33
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-adamantylmethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62799816
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716928
(2S)-2-amino-3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 87289710
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
2-[[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430327
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111446010
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide (CID 103966699) is 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is Nc1nc(CC(=O)NCC2(CO)CCCCC2)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
The InChIKey is WLIORFOOWAXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-12-16-10(7-19-12)6-11(18)15-8-13(9-17)4-2-1-3-5-13/h7,17H,1-6,8-9H2,(H2,14,16)(H,15,18).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 103966699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).