N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide

C11H14N2OS — CID 47163183

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H14N2OS/c1-6-4-8(6)10(14)13-11-12-9(5-15-11)7-2-3-7/h5-8H,2-4H2,1H3,(H,12,13,14)
InChIKeyQAFGZNIKOOFRDJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.62
Rot. Bonds3

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 47163183) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID47163183
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H14N2OS/c1-6-4-8(6)10(14)13-11-12-9(5-15-11)7-2-3-7/h5-8H,2-4H2,1H3,(H,12,13,14)
InChIKeyQAFGZNIKOOFRDJ-UHFFFAOYSA-N
XLogP2.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide (CID 47163183) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is QAFGZNIKOOFRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-6-4-8(6)10(14)13-11-12-9(5-15-11)7-2-3-7/h5-8H,2-4H2,1H3,(H,12,13,14).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 222.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47163183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).