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

C13H16N2O2S — CID 955794

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-4-10(8-11)12(16)15-13-14-6-7-18-13/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyYIOWOLYCXLVGIO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide (PubChem CID 955794) 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)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
PubChem CID955794
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-4-10(8-11)12(16)15-13-14-6-7-18-13/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyYIOWOLYCXLVGIO-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

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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
3-(difluoromethoxy)-N-(4,5-dihydrothiazol-2-yl)benzamide
CID 2676787
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
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
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dimethoxybenzamide
CID 1246268
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 2460037
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-methoxybenzamide
CID 44443142
4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
CID 2561100

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide (CID 955794) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide?
The InChIKey is YIOWOLYCXLVGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)17-11-5-3-4-10(8-11)12(16)15-13-14-6-7-18-13/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-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)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 955794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).