N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide

C15H17N3O2S — CID 138020971

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S/c1-18(9-15(10-19)7-8-15)14(20)13-16-12(17-21-13)11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3
InChIKeyNKEZXRVUOKVJMC-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.05
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 138020971) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID138020971
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
SMILESCN(CC1(CO)CC1)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H17N3O2S/c1-18(9-15(10-19)7-8-15)14(20)13-16-12(17-21-13)11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3
InChIKeyNKEZXRVUOKVJMC-UHFFFAOYSA-N
XLogP2.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide (CID 138020971) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide is CN(CC1(CO)CC1)C(=O)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is NKEZXRVUOKVJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(9-15(10-19)7-8-15)14(20)13-16-12(17-21-13)11-5-3-2-4-6-11/h2-6,19H,7-10H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 138020971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).