2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide

C8H13N3O2S — CID 62797982

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
SMILESNc1nc(CC(=O)NCCCO)cs1
InChIInChI=1S/C8H13N3O2S/c9-8-11-6(5-14-8)4-7(13)10-2-1-3-12/h5,12H,1-4H2,(H2,9,11)(H,10,13)
InChIKeyBDRHSHAIHIOAGW-UHFFFAOYSA-N
MW215.28 g/mol
LogP-0.23
Rot. Bonds5

About 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide

2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 62797982) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID62797982
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
SMILESNc1nc(CC(=O)NCCCO)cs1
InChIInChI=1S/C8H13N3O2S/c9-8-11-6(5-14-8)4-7(13)10-2-1-3-12/h5,12H,1-4H2,(H2,9,11)(H,10,13)
InChIKeyBDRHSHAIHIOAGW-UHFFFAOYSA-N
XLogP-0.23
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-[2-(4-aminophenyl)-1,3-thiazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 82547964
2-(2-amino-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 63227328
2-(2-amino-1,3-thiazol-4-yl)-N-(2-phenylethyl)acetamide
CID 3561835
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
2-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethoxy]acetic acid
CID 79456857
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62798218
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 55119507
2-(2-amino-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62795554
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide (CID 62797982) is 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide is Nc1nc(CC(=O)NCCCO)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is BDRHSHAIHIOAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c9-8-11-6(5-14-8)4-7(13)10-2-1-3-12/h5,12H,1-4H2,(H2,9,11)(H,10,13).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 215.28 g/mol, XLogP of -0.23, 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-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 62797982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).