3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide

C17H19ClN2O3S — CID 26723389

IUPAC3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC(C)C
InChIInChI=1S/C17H19ClN2O3S/c1-9(2)23-15-11(18)7-10(8-13(15)22-3)16(21)20-17-19-12-5-4-6-14(12)24-17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyQDFGBMGLIFZAFQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.33
Rot. Bonds5

About 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide

3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide (PubChem CID 26723389) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
PubChem CID26723389
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC(C)C
InChIInChI=1S/C17H19ClN2O3S/c1-9(2)23-15-11(18)7-10(8-13(15)22-3)16(21)20-17-19-12-5-4-6-14(12)24-17/h7-9H,4-6H2,1-3H3,(H,19,20,21)
InChIKeyQDFGBMGLIFZAFQ-UHFFFAOYSA-N
XLogP4.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
CID 16550274
4-amino-5-chloro-2-methoxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 119700477
5,6-dichloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 7948503
3-chloro-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methoxy-4-propoxybenzamide
CID 29412667
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 24592005
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 38493209
6-amino-5-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62161403
2-bromo-3,4,5-trimethoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 1179187
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 42152830
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
3,4,5-trimethoxy-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749741

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide (CID 26723389) is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2nc3c(s2)CCC3)cc(Cl)c1OC(C)C.
What is the InChIKey of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is QDFGBMGLIFZAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-9(2)23-15-11(18)7-10(8-13(15)22-3)16(21)20-17-19-12-5-4-6-14(12)24-17/h7-9H,4-6H2,1-3H3,(H,19,20,21).
What are the key properties of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide?
3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 366.87 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 26723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).