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

C13H16N2O2S — CID 802126

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-10(4-6-11)12(16)15-13-14-7-8-18-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyRMJHQISSIJTTAF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 802126) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID802126
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-10(4-6-11)12(16)15-13-14-7-8-18-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16)
InChIKeyRMJHQISSIJTTAF-UHFFFAOYSA-N
XLogP2.31
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 669323
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
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
Ethyl 3,4-dimethyl-2-(4-propan-2-yloxybenzoyl)imino-1,3-thiazole-5-carboxylate
CID 3341993
(4-methoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5024635
[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
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4,5-triethoxybenzamide
CID 771169
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 669435

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide (CID 802126) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is RMJHQISSIJTTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-10(4-6-11)12(16)15-13-14-7-8-18-13/h3-6,9H,7-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 264.35 g/mol, XLogP of 2.31, 3 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-propan-2-yloxybenzamide is sourced from PubChem (CID 802126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).