N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C12H17N3O2S — CID 86836500

IUPACN-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17N3O2S/c1-4-14(6-9(2)5-13)11(16)7-15-10(3)8-18-12(15)17/h8-9H,4,6-7H2,1-3H3
InChIKeyCZXXQEPCNSMHLH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.23
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 86836500) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID86836500
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(CC(C)C#N)C(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H17N3O2S/c1-4-14(6-9(2)5-13)11(16)7-15-10(3)8-18-12(15)17/h8-9H,4,6-7H2,1-3H3
InChIKeyCZXXQEPCNSMHLH-UHFFFAOYSA-N
XLogP1.23
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
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ethyl 2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]-propan-2-ylamino]acetate
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2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-phenyl-N-propan-2-ylacetamide
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N-ethyl-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 86836500) is N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCN(CC(C)C#N)C(=O)Cn1c(C)csc1=O.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is CZXXQEPCNSMHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-14(6-9(2)5-13)11(16)7-15-10(3)8-18-12(15)17/h8-9H,4,6-7H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 86836500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).