N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide

C23H25N5O4S2 — CID 87441462

IUPACN-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O4S2/c24-20(29)16-3-1-5-17(13-16)25-21(30)18-14-34-23(26-18)27-22(31)19-15(6-12-33-19)4-2-7-28-8-10-32-11-9-28/h1,3,5-6,12-14H,2,4,7-11H2,(H2,24,29)(H,25,30)(H,26,27,31)
InChIKeyHGAIHQPSQQCJHE-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.07
Rot. Bonds9

About N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide

N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 87441462) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID87441462
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC NameN-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1
InChIInChI=1S/C23H25N5O4S2/c24-20(29)16-3-1-5-17(13-16)25-21(30)18-14-34-23(26-18)27-22(31)19-15(6-12-33-19)4-2-7-28-8-10-32-11-9-28/h1,3,5-6,12-14H,2,4,7-11H2,(H2,24,29)(H,25,30)(H,26,27,31)
InChIKeyHGAIHQPSQQCJHE-UHFFFAOYSA-N
XLogP3.07
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 87441731
2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 87440950
3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
3-[[2-(propanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 39164379
N-[3-(3-morpholin-4-ylpropylcarbamoyl)phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46329931
N-(3-carbamoylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 138999302
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 16914985
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 141208836
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide (CID 87441462) is N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1cccc(NC(=O)c2csc(NC(=O)c3sccc3CCCN3CCOCC3)n2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is HGAIHQPSQQCJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c24-20(29)16-3-1-5-17(13-16)25-21(30)18-14-34-23(26-18)27-22(31)19-15(6-12-33-19)4-2-7-28-8-10-32-11-9-28/h1,3,5-6,12-14H,2,4,7-11H2,(H2,24,29)(H,25,30)(H,26,27,31).
What are the key properties of N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide?
N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 87441462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).