N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide

C16H26N4O3S — CID 91830539

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1nnc(C2CC2)s1)CC1(CO)CCOCC1
InChIInChI=1S/C16H26N4O3S/c1-20(10-16(11-21)5-8-23-9-6-16)7-4-13(22)17-15-19-18-14(24-15)12-2-3-12/h12,21H,2-11H2,1H3,(H,17,19,22)
InChIKeyMWAXBVWPRZVTGD-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.47
Rot. Bonds8

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide (PubChem CID 91830539) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide
PubChem CID91830539
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1nnc(C2CC2)s1)CC1(CO)CCOCC1
InChIInChI=1S/C16H26N4O3S/c1-20(10-16(11-21)5-8-23-9-6-16)7-4-13(22)17-15-19-18-14(24-15)12-2-3-12/h12,21H,2-11H2,1H3,(H,17,19,22)
InChIKeyMWAXBVWPRZVTGD-UHFFFAOYSA-N
XLogP1.47
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
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benzyl 4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide (CID 91830539) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide is CN(CCC(=O)Nc1nnc(C2CC2)s1)CC1(CO)CCOCC1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide?
The InChIKey is MWAXBVWPRZVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-20(10-16(11-21)5-8-23-9-6-16)7-4-13(22)17-15-19-18-14(24-15)12-2-3-12/h12,21H,2-11H2,1H3,(H,17,19,22).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide has a molecular weight of 354.48 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 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-[[4-(hydroxymethyl)oxan-4-yl]methyl-methylamino]propanamide is sourced from PubChem (CID 91830539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).