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

C16H22N6OS — CID 124757594

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H22N6OS/c23-14(18-16-21-20-15(24-16)11-3-4-11)6-9-22-8-1-2-12(10-22)13-5-7-17-19-13/h5,7,11-12H,1-4,6,8-10H2,(H,17,19)(H,18,21,23)/t12-/m1/s1
InChIKeyWRFBUFCDAVSOFQ-GFCCVEGCSA-N
MW346.46 g/mol
LogP2.35
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 124757594) 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-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID124757594
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H22N6OS/c23-14(18-16-21-20-15(24-16)11-3-4-11)6-9-22-8-1-2-12(10-22)13-5-7-17-19-13/h5,7,11-12H,1-4,6,8-10H2,(H,17,19)(H,18,21,23)/t12-/m1/s1
InChIKeyWRFBUFCDAVSOFQ-GFCCVEGCSA-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

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N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-2-[4-(1H-pyrazol-5-yl)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-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 124757594) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC[C@@H](c2ccn[nH]2)C1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is WRFBUFCDAVSOFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6OS/c23-14(18-16-21-20-15(24-16)11-3-4-11)6-9-22-8-1-2-12(10-22)13-5-7-17-19-13/h5,7,11-12H,1-4,6,8-10H2,(H,17,19)(H,18,21,23)/t12-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-3-(1H-pyrazol-5-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-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124757594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).