4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide

C14H17N3O2S2 — CID 73167804

IUPAC4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H17N3O2S2/c1-10-13(21-16-15-10)14(18)17(9-12-3-2-8-20-12)11-4-6-19-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyHGADANOAGDPNIZ-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.73
Rot. Bonds4

About 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide

4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 73167804) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID73167804
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1cccs1)C1CCOCC1
InChIInChI=1S/C14H17N3O2S2/c1-10-13(21-16-15-10)14(18)17(9-12-3-2-8-20-12)11-4-6-19-7-5-11/h2-3,8,11H,4-7,9H2,1H3
InChIKeyHGADANOAGDPNIZ-UHFFFAOYSA-N
XLogP2.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90610768
4-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 90610690
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 90610632
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
5-bromo-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 90610645
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702
1-methyl-N-(oxan-4-yl)-3-phenyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 90610643
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 90610662
6-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 62186849

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide (CID 73167804) is 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(Cc1cccs1)C1CCOCC1.
What is the InChIKey of 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is HGADANOAGDPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-10-13(21-16-15-10)14(18)17(9-12-3-2-8-20-12)11-4-6-19-7-5-11/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide?
4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 73167804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).