N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide

C13H20N4O2S — CID 155980949

IUPACN-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide
SMILESCC(C)c1nnc(N2CCOC(C(=O)NC3CC3)C2)s1
InChIInChI=1S/C13H20N4O2S/c1-8(2)12-15-16-13(20-12)17-5-6-19-10(7-17)11(18)14-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,18)
InChIKeyTWSLDRCUTCBJAQ-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.15
Rot. Bonds4

About N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide

N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide (PubChem CID 155980949) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide
PubChem CID155980949
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide
SMILESCC(C)c1nnc(N2CCOC(C(=O)NC3CC3)C2)s1
InChIInChI=1S/C13H20N4O2S/c1-8(2)12-15-16-13(20-12)17-5-6-19-10(7-17)11(18)14-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,18)
InChIKeyTWSLDRCUTCBJAQ-UHFFFAOYSA-N
XLogP1.15
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide (CID 155980949) is N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide is CC(C)c1nnc(N2CCOC(C(=O)NC3CC3)C2)s1.
What is the InChIKey of N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide?
The InChIKey is TWSLDRCUTCBJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(2)12-15-16-13(20-12)17-5-6-19-10(7-17)11(18)14-9-3-4-9/h8-10H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide?
N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine-2-carboxamide is sourced from PubChem (CID 155980949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).