2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide

C7H13N3OS — CID 43566541

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide
SMILESCCNC(=O)CNC1=NCCS1
InChIInChI=1S/C7H13N3OS/c1-2-8-6(11)5-10-7-9-3-4-12-7/h2-5H2,1H3,(H,8,11)(H,9,10)
InChIKeyZZFFUNJBRGYZOH-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.19
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide

2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide (PubChem CID 43566541) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide
PubChem CID43566541
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide
SMILESCCNC(=O)CNC1=NCCS1
InChIInChI=1S/C7H13N3OS/c1-2-8-6(11)5-10-7-9-3-4-12-7/h2-5H2,1H3,(H,8,11)(H,9,10)
InChIKeyZZFFUNJBRGYZOH-UHFFFAOYSA-N
XLogP-0.19
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide (CID 43566541) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide is CCNC(=O)CNC1=NCCS1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide?
The InChIKey is ZZFFUNJBRGYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-2-8-6(11)5-10-7-9-3-4-12-7/h2-5H2,1H3,(H,8,11)(H,9,10).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide has a molecular weight of 187.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-ethylacetamide is sourced from PubChem (CID 43566541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).