N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide

C13H19N3O2S — CID 136528047

IUPACN-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C13H19N3O2S/c17-13(12-8-14-15-19-12)16(10-4-1-2-5-10)9-11-6-3-7-18-11/h8,10-11H,1-7,9H2
InChIKeyLZSBYMLIFGTMJQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.10
Rot. Bonds4

About N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide

N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 136528047) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
PubChem CID136528047
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(c1cnns1)N(CC1CCCO1)C1CCCC1
InChIInChI=1S/C13H19N3O2S/c17-13(12-8-14-15-19-12)16(10-4-1-2-5-10)9-11-6-3-7-18-11/h8,10-11H,1-7,9H2
InChIKeyLZSBYMLIFGTMJQ-UHFFFAOYSA-N
XLogP2.10
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 120636360
2-(2-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1,3-thiazole-5-carboxamide
CID 95192653
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-2-carboxamide
CID 97078581
5-[[(2R)-oxolan-2-yl]methyl-[(3R)-thiolan-3-yl]carbamoyl]pyridine-2-carboxylic acid
CID 125153508
5-amino-N-cyclopentyl-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 120636361
N-piperidin-3-yl-N-propylthiadiazole-5-carboxamide
CID 63638833
N-[(4-aminophenyl)methyl]-N-cyclopropylthiadiazole-5-carboxamide
CID 65215762
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010472
1-cyclopentyl-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1-(oxolan-2-ylmethyl)urea
CID 71861206
N-cyclopentyl-2-(5-methyl-1H-pyrazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97069159
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide (CID 136528047) is N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide is O=C(c1cnns1)N(CC1CCCO1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is LZSBYMLIFGTMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-13(12-8-14-15-19-12)16(10-4-1-2-5-10)9-11-6-3-7-18-11/h8,10-11H,1-7,9H2.
What are the key properties of N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide?
N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(oxolan-2-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 136528047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).