2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C13H13N3O2S — CID 167938873

IUPAC2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2OC2CC2)s1
InChIInChI=1S/C13H13N3O2S/c1-8-15-16-13(19-8)14-12(17)10-4-2-3-5-11(10)18-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17)
InChIKeyREJKRRZCOYIIBU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.64
Rot. Bonds4

About 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 167938873) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID167938873
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2OC2CC2)s1
InChIInChI=1S/C13H13N3O2S/c1-8-15-16-13(19-8)14-12(17)10-4-2-3-5-11(10)18-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17)
InChIKeyREJKRRZCOYIIBU-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyloxy-N-(4-methyl-1,3-thiazol-5-yl)benzamide
CID 167900234
2-cyclopentyloxy-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 167779770
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 18077911
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
CID 167979514
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-3-carboxamide
CID 17374715
3-bromo-2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 103975385
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
2-ethoxy-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 872228
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indazole-4-carboxamide
CID 47381995
2-(cyclopropylmethoxy)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 155944356

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 167938873) is 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2OC2CC2)s1.
What is the InChIKey of 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is REJKRRZCOYIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-15-16-13(19-8)14-12(17)10-4-2-3-5-11(10)18-9-6-7-9/h2-5,9H,6-7H2,1H3,(H,14,16,17).
What are the key properties of 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 275.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 167938873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).