N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide

C8H12N2OS — CID 59058834

IUPACN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide
SMILESCCc1nc(C)c(N(C)C=O)s1
InChIInChI=1S/C8H12N2OS/c1-4-7-9-6(2)8(12-7)10(3)5-11/h5H,4H2,1-3H3
InChIKeyAXKVIOKXDRGTOL-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.61
Rot. Bonds3

About N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide

N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide (PubChem CID 59058834) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide
PubChem CID59058834
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide
SMILESCCc1nc(C)c(N(C)C=O)s1
InChIInChI=1S/C8H12N2OS/c1-4-7-9-6(2)8(12-7)10(3)5-11/h5H,4H2,1-3H3
InChIKeyAXKVIOKXDRGTOL-UHFFFAOYSA-N
XLogP1.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide?
The IUPAC name of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide (CID 59058834) is N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide.
What is the SMILES notation for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide?
The canonical SMILES for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide is CCc1nc(C)c(N(C)C=O)s1.
What is the InChIKey of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide?
The InChIKey is AXKVIOKXDRGTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-4-7-9-6(2)8(12-7)10(3)5-11/h5H,4H2,1-3H3.
What are the key properties of N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide?
N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide has a molecular weight of 184.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylformamide is sourced from PubChem (CID 59058834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).