N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide

C16H18N2O3S — CID 32863513

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2nc(C3CC3)cs2)cc(OC)c1C
InChIInChI=1S/C16H18N2O3S/c1-9-13(20-2)6-11(7-14(9)21-3)15(19)18-16-17-12(8-22-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKRRNIVIYZPSRNJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.60
Rot. Bonds5

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 32863513) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID32863513
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2nc(C3CC3)cs2)cc(OC)c1C
InChIInChI=1S/C16H18N2O3S/c1-9-13(20-2)6-11(7-14(9)21-3)15(19)18-16-17-12(8-22-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyKRRNIVIYZPSRNJ-UHFFFAOYSA-N
XLogP3.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 32866726
1-N,4-N-bis(4-cyclopropyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 32869371
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
3,5-dibromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 107980376
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 32864791
3-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzamide
CID 104852540
4-bromo-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylbenzamide
CID 112705830
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-fluoropyridine-4-carboxamide
CID 54958473
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-difluoro-4-hydrazinylbenzamide
CID 63186693
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-3,5-dimethoxy-4-methylbenzamide
CID 2127477
N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62174816

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide (CID 32863513) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2nc(C3CC3)cs2)cc(OC)c1C.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is KRRNIVIYZPSRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-9-13(20-2)6-11(7-14(9)21-3)15(19)18-16-17-12(8-22-16)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 32863513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).