N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C14H15N3OS — CID 1444708

IUPACN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(N(C)C(=O)C2CC2)s1
InChIInChI=1S/C14H15N3OS/c1-9-5-3-4-6-11(9)12-15-16-14(19-12)17(2)13(18)10-7-8-10/h3-6,10H,7-8H2,1-2H3
InChIKeyQQEAVPVALROCTJ-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.89
Rot. Bonds3

About N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 1444708) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID1444708
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCc1ccccc1-c1nnc(N(C)C(=O)C2CC2)s1
InChIInChI=1S/C14H15N3OS/c1-9-5-3-4-6-11(9)12-15-16-14(19-12)17(2)13(18)10-7-8-10/h3-6,10H,7-8H2,1-2H3
InChIKeyQQEAVPVALROCTJ-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 1444708) is N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is Cc1ccccc1-c1nnc(N(C)C(=O)C2CC2)s1.
What is the InChIKey of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is QQEAVPVALROCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-5-3-4-6-11(9)12-15-16-14(19-12)17(2)13(18)10-7-8-10/h3-6,10H,7-8H2,1-2H3.
What are the key properties of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1444708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).