N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide

C20H24N6O3S3 — CID 67549661

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)s1
InChIInChI=1S/C20H24N6O3S3/c1-2-16-23-24-19(32-16)22-17(27)14-13-31-20(21-14)26(18(28)15-5-3-12-30-15)7-4-6-25-8-10-29-11-9-25/h3,5,12-13H,2,4,6-11H2,1H3,(H,22,24,27)
InChIKeyHXUAMBYWGLFTDA-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.24
Rot. Bonds9

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 67549661) has the molecular formula C20H24N6O3S3 and a molecular weight of 492.65 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID67549661
Molecular FormulaC20H24N6O3S3
Molecular Weight492.65 g/mol
Exact Mass492.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)s1
InChIInChI=1S/C20H24N6O3S3/c1-2-16-23-24-19(32-16)22-17(27)14-13-31-20(21-14)26(18(28)15-5-3-12-30-15)7-4-6-25-8-10-29-11-9-25/h3,5,12-13H,2,4,6-11H2,1H3,(H,22,24,27)
InChIKeyHXUAMBYWGLFTDA-UHFFFAOYSA-N
XLogP3.24
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide (CID 67549661) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide is CCc1nnc(NC(=O)c2csc(N(CCCN3CCOCC3)C(=O)c3cccs3)n2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HXUAMBYWGLFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S3/c1-2-16-23-24-19(32-16)22-17(27)14-13-31-20(21-14)26(18(28)15-5-3-12-30-15)7-4-6-25-8-10-29-11-9-25/h3,5,12-13H,2,4,6-11H2,1H3,(H,22,24,27).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67549661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).