N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide

C16H22N6OS — CID 124843387

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H](c2ncc[nH]2)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H22N6OS/c23-13(19-16-21-20-15(24-16)11-3-4-11)5-9-22-8-1-2-12(10-22)14-17-6-7-18-14/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,21,23)/t12-/m0/s1
InChIKeyDQCROOWQNDHZHL-LBPRGKRZSA-N
MW346.46 g/mol
LogP2.35
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 124843387) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide
PubChem CID124843387
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H](c2ncc[nH]2)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H22N6OS/c23-13(19-16-21-20-15(24-16)11-3-4-11)5-9-22-8-1-2-12(10-22)14-17-6-7-18-14/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,21,23)/t12-/m0/s1
InChIKeyDQCROOWQNDHZHL-LBPRGKRZSA-N
XLogP2.35
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 124757594
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide
CID 91841216
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95154853
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
CID 95144645
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 166314699
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propanamide
CID 124756586
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-fluorophenoxy)piperidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide (CID 124843387) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC[C@H](c2ncc[nH]2)C1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is DQCROOWQNDHZHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6OS/c23-13(19-16-21-20-15(24-16)11-3-4-11)5-9-22-8-1-2-12(10-22)14-17-6-7-18-14/h6-7,11-12H,1-5,8-10H2,(H,17,18)(H,19,21,23)/t12-/m0/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 346.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124843387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).