(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C12H18N4O3S — CID 95268925

IUPAC(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCC[C@@H]2C2OCCO2)s1
InChIInChI=1S/C12H18N4O3S/c1-8-14-15-11(20-8)13-12(17)16-5-3-2-4-9(16)10-18-6-7-19-10/h9-10H,2-7H2,1H3,(H,13,15,17)/t9-/m1/s1
InChIKeyCNDJWPKOQPOCMX-SECBINFHSA-N
MW298.37 g/mol
LogP1.61
Rot. Bonds2

About (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 95268925) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID95268925
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCC[C@@H]2C2OCCO2)s1
InChIInChI=1S/C12H18N4O3S/c1-8-14-15-11(20-8)13-12(17)16-5-3-2-4-9(16)10-18-6-7-19-10/h9-10H,2-7H2,1H3,(H,13,15,17)/t9-/m1/s1
InChIKeyCNDJWPKOQPOCMX-SECBINFHSA-N
XLogP1.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 31259594
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1086842
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
cis-(1R,2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2169381
(4aS,8aS)-N-(1,3,4-thiadiazol-2-yl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carboxamide
CID 95126779
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349
N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119265892
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
3-[(carbamoylamino)methyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 47263455
2-[[5-cyclopropyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19726673
1-cyclohexyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2991661
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 47197934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 95268925) is (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is Cc1nnc(NC(=O)N2CCCC[C@@H]2C2OCCO2)s1.
What is the InChIKey of (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is CNDJWPKOQPOCMX-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-8-14-15-11(20-8)13-12(17)16-5-3-2-4-9(16)10-18-6-7-19-10/h9-10H,2-7H2,1H3,(H,13,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
(2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxolan-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 95268925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).