N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C13H20N2OS — CID 166218577

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCc1cnc(NC(=O)C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C13H20N2OS/c1-6-8-7-14-11(17-8)15-10(16)9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,14,15,16)
InChIKeyIZBHICMNYFDPOC-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.33
Rot. Bonds3

About N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 166218577) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID166218577
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCCc1cnc(NC(=O)C2C(C)(C)C2(C)C)s1
InChIInChI=1S/C13H20N2OS/c1-6-8-7-14-11(17-8)15-10(16)9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,14,15,16)
InChIKeyIZBHICMNYFDPOC-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
(2R)-2-amino-N-(5-ethyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 130680042
N-(5-ethyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 119755286
3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119755294
N-(5-ethyl-1,3-thiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119755311
N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
CID 166254325
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-3-methylpentanamide
CID 119755320
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
CID 54057467
2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
CID 54382001

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 166218577) is N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CCc1cnc(NC(=O)C2C(C)(C)C2(C)C)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is IZBHICMNYFDPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-6-8-7-14-11(17-8)15-10(16)9-12(2,3)13(9,4)5/h7,9H,6H2,1-5H3,(H,14,15,16).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 166218577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).