N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide

C14H19N5O2S — CID 91836644

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide
SMILESCc1cc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)no1
InChIInChI=1S/C14H19N5O2S/c1-9-7-11(18-21-9)8-19(2)6-5-12(20)15-14-17-16-13(22-14)10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,17,20)
InChIKeyXGYQREZGUYHWLO-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.17
Rot. Bonds7

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide (PubChem CID 91836644) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide
PubChem CID91836644
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide
SMILESCc1cc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)no1
InChIInChI=1S/C14H19N5O2S/c1-9-7-11(18-21-9)8-19(2)6-5-12(20)15-14-17-16-13(22-14)10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,17,20)
InChIKeyXGYQREZGUYHWLO-UHFFFAOYSA-N
XLogP2.17
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(N-(4-chlorophenyl)sulfonyl-3,5-dimethylanilino)-N-(5-cyclopropyl-1,3,4-thiadiazol-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-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide (CID 91836644) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide is Cc1cc(CN(C)CCC(=O)Nc2nnc(C3CC3)s2)no1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide?
The InChIKey is XGYQREZGUYHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-7-11(18-21-9)8-19(2)6-5-12(20)15-14-17-16-13(22-14)10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,15,17,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide has a molecular weight of 321.41 g/mol, XLogP of 2.17, 7 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-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanamide is sourced from PubChem (CID 91836644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).