5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C12H21N5O2S — CID 80617367

IUPAC5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(C)CN2CCOCC2)s1
InChIInChI=1S/C12H21N5O2S/c1-3-13-12-16-15-11(20-12)10(18)14-9(2)8-17-4-6-19-7-5-17/h9H,3-8H2,1-2H3,(H,13,16)(H,14,18)
InChIKeyMAVJCDVAQBSMMX-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.42
Rot. Bonds6

About 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617367) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617367
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)NC(C)CN2CCOCC2)s1
InChIInChI=1S/C12H21N5O2S/c1-3-13-12-16-15-11(20-12)10(18)14-9(2)8-17-4-6-19-7-5-17/h9H,3-8H2,1-2H3,(H,13,16)(H,14,18)
InChIKeyMAVJCDVAQBSMMX-UHFFFAOYSA-N
XLogP0.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(methylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617192
5-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617293
5-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625100
5-(ethylamino)-N-pentan-3-yl-1,3,4-thiadiazole-2-carboxamide
CID 80615864
4-ethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]thiadiazole-5-carboxamide
CID 94025961
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133383205
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
5-(ethylamino)-N-[(4-methylmorpholin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624606
6-bromo-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 103879470
5-(ethylamino)-N-(1-methoxybutan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80616601
N-(1-cyclohexylpropyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617545

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617367) is 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)NC(C)CN2CCOCC2)s1.
What is the InChIKey of 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MAVJCDVAQBSMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-3-13-12-16-15-11(20-12)10(18)14-9(2)8-17-4-6-19-7-5-17/h9H,3-8H2,1-2H3,(H,13,16)(H,14,18).
What are the key properties of 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-(1-morpholin-4-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).