N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide

C7H11N3OS — CID 28803730

IUPACN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN)cs1
InChIInChI=1S/C7H11N3OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyHMFGVRCSTPECIK-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.60
Rot. Bonds3

About N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide

N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 28803730) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID28803730
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CCN)cs1
InChIInChI=1S/C7H11N3OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyHMFGVRCSTPECIK-UHFFFAOYSA-N
XLogP0.60
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 4272947
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1235811
4-(2-Aminoethyl)-1,3-thiazol-2-amine
CID 10964631
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CID 14962262
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
CID 14962263
N-(4-tert-Butyl-1,3-thiazol-2-yl)acetamide
CID 588190
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 57792389
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
4-(2-Aminoethyl)-1,3-thiazol-2-amine dihydrochloride
CID 71685850
methyl N-[4-(2-isothiocyanatoethyl)-1,3-thiazol-2-yl]carbamate
CID 14962252

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide (CID 28803730) is N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CCN)cs1.
What is the InChIKey of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is HMFGVRCSTPECIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(11)9-7-10-6(2-3-8)4-12-7/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 185.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 28803730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).