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

C11H12N2O2S — CID 669435

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(7-9)10(14)13-11-12-5-6-16-11/h2-4,7H,5-6H2,1H3,(H,12,13,14)
InChIKeyPJFRVUICGRPQMZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.53
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide (PubChem CID 669435) 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)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
PubChem CID669435
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(7-9)10(14)13-11-12-5-6-16-11/h2-4,7H,5-6H2,1H3,(H,12,13,14)
InChIKeyPJFRVUICGRPQMZ-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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Related Compounds

(3-Methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 3413160
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
Stk520326
CID 924650
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(propan-2-yloxy)benzamide
CID 955794
4-methoxy-N-(3-methyl-2-thiazolylidene)benzamide
CID 2082412
3-(difluoromethoxy)-N-(4,5-dihydrothiazol-2-yl)benzamide
CID 2676787
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
[2-(4-Methoxy-benzoylamino)-4-oxo-4H-thiazol-5-ylidene]-acetic acid methyl ester
CID 135408459
(E)-methyl 2-(2-(4-methoxybenzamido)-4-oxothiazol-5(4H)-ylidene)acetate
CID 135486323
Benzamide, 3-methoxy-N-(5-oxo-6-trifluoromethyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-6-yl)-
CID 663737
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
CID 1246268

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide (CID 669435) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide?
The InChIKey is PJFRVUICGRPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-15-9-4-2-3-8(7-9)10(14)13-11-12-5-6-16-11/h2-4,7H,5-6H2,1H3,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-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)-3-methoxybenzamide is sourced from PubChem (CID 669435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).