(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone

C9H13N3OS — CID 7576676

IUPAC(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nnsc1C(=O)N1CCCCC1
InChIInChI=1S/C9H13N3OS/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyOYTHNUXAWHMTJE-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.47
Rot. Bonds1

About (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone

(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 7576676) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone
PubChem CID7576676
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone
SMILESCc1nnsc1C(=O)N1CCCCC1
InChIInChI=1S/C9H13N3OS/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3
InChIKeyOYTHNUXAWHMTJE-UHFFFAOYSA-N
XLogP1.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 2804319
(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
(4-Methylselenadiazol-5-yl)-piperidin-1-ylmethanone
CID 16724977
N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
Ethyl 4-[(4-methylthiadiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 2815506
4-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazinecarbaldehyde
CID 7293413
N-[3-(diethylamino)-3-oxopropyl]-4-methylthiadiazole-5-carboxamide
CID 91651649
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 126789307
[4-(Difluoromethyl)thiadiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 135153410
N,N-dicyclohexyl-4-(difluoromethyl)thiadiazole-5-carboxamide
CID 135153488
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4-(propan-2-YL)piperazine
CID 53016991

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone (CID 7576676) is (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone is Cc1nnsc1C(=O)N1CCCCC1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is OYTHNUXAWHMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-8(14-11-10-7)9(13)12-5-3-2-4-6-12/h2-6H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone?
(4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 211.29 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 7576676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).