N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide

C11H12N2O2S — CID 821601

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-8(3-5-9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyBJVDNQVVZLYCMH-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.53
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide (PubChem CID 821601) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
PubChem CID821601
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-8(3-5-9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyBJVDNQVVZLYCMH-UHFFFAOYSA-N
XLogP1.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide (CID 821601) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide?
The InChIKey is BJVDNQVVZLYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-9-4-2-8(3-5-9)10(14)13-11-12-6-7-16-11/h2-5H,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide has a molecular weight of 236.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 821601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).