N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide

C16H28N6O2S — CID 86987716

IUPACN-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Nc2nnc(CCC)s2)CC1
InChIInChI=1S/C16H28N6O2S/c1-3-5-14-20-21-16(25-14)19-15(24)18-12-6-9-22(10-7-12)11-13(23)17-8-4-2/h12H,3-11H2,1-2H3,(H,17,23)(H2,18,19,21,24)
InChIKeyGEELSLUYUVRTKY-UHFFFAOYSA-N
MW368.51 g/mol
LogP1.60
Rot. Bonds8

About N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide

N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 86987716) has the molecular formula C16H28N6O2S and a molecular weight of 368.51 g/mol. Its IUPAC name is N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
PubChem CID86987716
Molecular FormulaC16H28N6O2S
Molecular Weight368.51 g/mol
Exact Mass368.20
IUPAC NameN-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Nc2nnc(CCC)s2)CC1
InChIInChI=1S/C16H28N6O2S/c1-3-5-14-20-21-16(25-14)19-15(24)18-12-6-9-22(10-7-12)11-13(23)17-8-4-2/h12H,3-11H2,1-2H3,(H,17,23)(H2,18,19,21,24)
InChIKeyGEELSLUYUVRTKY-UHFFFAOYSA-N
XLogP1.60
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86830659
1-(1-acetylpiperidin-4-yl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 47196092
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 129367136
2-[2-(cyclopentylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-propylacetamide
CID 90529556
1-[[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]methyl]-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 98305442
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
CID 86986489
1-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(3R)-thiolan-3-yl]urea
CID 30852188
2-[(3S)-3-propoxypiperidin-1-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 124854593
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
4-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565279

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide (CID 86987716) is N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide is CCCNC(=O)CN1CCC(NC(=O)Nc2nnc(CCC)s2)CC1.
What is the InChIKey of N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is GEELSLUYUVRTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2S/c1-3-5-14-20-21-16(25-14)19-15(24)18-12-6-9-22(10-7-12)11-13(23)17-8-4-2/h12H,3-11H2,1-2H3,(H,17,23)(H2,18,19,21,24).
What are the key properties of N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide?
N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 368.51 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-[(5-propyl-1,3,4-thiadiazol-2-yl)carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 86987716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).