N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide

C13H15N3OS — CID 21315328

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide
SMILESCc1nnc(N(C(=O)c2ccccc2)C(C)C)s1
InChIInChI=1S/C13H15N3OS/c1-9(2)16(13-15-14-10(3)18-13)12(17)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyATCXMTFMSOHPRE-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide (PubChem CID 21315328) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide
PubChem CID21315328
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide
SMILESCc1nnc(N(C(=O)c2ccccc2)C(C)C)s1
InChIInChI=1S/C13H15N3OS/c1-9(2)16(13-15-14-10(3)18-13)12(17)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKeyATCXMTFMSOHPRE-UHFFFAOYSA-N
XLogP2.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide (CID 21315328) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide is Cc1nnc(N(C(=O)c2ccccc2)C(C)C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is ATCXMTFMSOHPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(2)16(13-15-14-10(3)18-13)12(17)11-7-5-4-6-8-11/h4-9H,1-3H3.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 21315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).