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

C14H14N2O2S — CID 32864791

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H14N2O2S/c1-18-12-5-3-2-4-10(12)13(17)16-14-15-11(8-19-14)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyLXWDVSYPUNEOGL-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.28
Rot. Bonds4

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide (PubChem CID 32864791) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
PubChem CID32864791
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H14N2O2S/c1-18-12-5-3-2-4-10(12)13(17)16-14-15-11(8-19-14)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,15,16,17)
InChIKeyLXWDVSYPUNEOGL-UHFFFAOYSA-N
XLogP3.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide (CID 32864791) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
The InChIKey is LXWDVSYPUNEOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-5-3-2-4-10(12)13(17)16-14-15-11(8-19-14)9-6-7-9/h2-5,8-9H,6-7H2,1H3,(H,15,16,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide has a molecular weight of 274.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 32864791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).