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

C16H21N5OS2 — CID 95144645

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@@H]1c1nccs1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H21N5OS2/c22-13(18-16-20-19-14(24-16)11-4-5-11)6-9-21-8-2-1-3-12(21)15-17-7-10-23-15/h7,10-12H,1-6,8-9H2,(H,18,20,22)/t12-/m1/s1
InChIKeyIOPXLAYITPEADI-GFCCVEGCSA-N
MW363.51 g/mol
LogP3.43
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide (PubChem CID 95144645) has the molecular formula C16H21N5OS2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
PubChem CID95144645
Molecular FormulaC16H21N5OS2
Molecular Weight363.51 g/mol
Exact Mass363.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCCC[C@@H]1c1nccs1)Nc1nnc(C2CC2)s1
InChIInChI=1S/C16H21N5OS2/c22-13(18-16-20-19-14(24-16)11-4-5-11)6-9-21-8-2-1-3-12(21)15-17-7-10-23-15/h7,10-12H,1-6,8-9H2,(H,18,20,22)/t12-/m1/s1
InChIKeyIOPXLAYITPEADI-GFCCVEGCSA-N
XLogP3.43
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 91836265
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CID 124756586
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 120982588
1-phenyl-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124615998
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
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CID 91842264
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
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N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]propanamide
CID 124843387
N-(2-acetylphenyl)-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]acetamide
CID 124606435
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
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N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide (CID 95144645) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide is O=C(CCN1CCCC[C@@H]1c1nccs1)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide?
The InChIKey is IOPXLAYITPEADI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5OS2/c22-13(18-16-20-19-14(24-16)11-4-5-11)6-9-21-8-2-1-3-12(21)15-17-7-10-23-15/h7,10-12H,1-6,8-9H2,(H,18,20,22)/t12-/m1/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 95144645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).