N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide

C22H21F3N4O2S — CID 25105791

IUPACN-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cnc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)s1
InChIInChI=1S/C22H21F3N4O2S/c23-22(24,25)17-4-2-1-3-16(17)20(31)28-9-14-11-29(12-15(14)10-28)21-27-8-18(32-21)19(30)26-7-13-5-6-13/h1-4,8,13H,5-7,9-12H2,(H,26,30)
InChIKeyGUPKQCHPORPYAG-UHFFFAOYSA-N
MW462.50 g/mol
LogP3.57
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide

N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 25105791) has the molecular formula C22H21F3N4O2S and a molecular weight of 462.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID25105791
Molecular FormulaC22H21F3N4O2S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC NameN-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1CC1)c1cnc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)s1
InChIInChI=1S/C22H21F3N4O2S/c23-22(24,25)17-4-2-1-3-16(17)20(31)28-9-14-11-29(12-15(14)10-28)21-27-8-18(32-21)19(30)26-7-13-5-6-13/h1-4,8,13H,5-7,9-12H2,(H,26,30)
InChIKeyGUPKQCHPORPYAG-UHFFFAOYSA-N
XLogP3.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide (CID 25105791) is N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide is O=C(NCC1CC1)c1cnc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GUPKQCHPORPYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2S/c23-22(24,25)17-4-2-1-3-16(17)20(31)28-9-14-11-29(12-15(14)10-28)21-27-8-18(32-21)19(30)26-7-13-5-6-13/h1-4,8,13H,5-7,9-12H2,(H,26,30).
What are the key properties of N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide?
N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25105791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).