2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C20H22N6OS2 — CID 24955890

IUPAC2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc2c(s1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2
InChIInChI=1S/C20H22N6OS2/c1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h2-5,12,21H,6-11H2,1H3,(H,23,27)
InChIKeySUBDBUFPZAZATC-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24955890) has the molecular formula C20H22N6OS2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24955890
Molecular FormulaC20H22N6OS2
Molecular Weight426.57 g/mol
Exact Mass426.13
IUPAC Name2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1nc2c(s1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2
InChIInChI=1S/C20H22N6OS2/c1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h2-5,12,21H,6-11H2,1H3,(H,23,27)
InChIKeySUBDBUFPZAZATC-UHFFFAOYSA-N
XLogP3.09
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956259
2-(benzotriazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24956966
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
N-(2-piperazin-1-ylphenyl)-2-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 24956257
2-(1H-Imidazol-1-yl)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 59332322
2-[4-(4-Fluorophenyl)piperazin-1-YL]-N-[(thiophen-2-YL)methyl]-1,3-thiazole-4-carboxamide
CID 71840254
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840321
2-(benzylamino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967756
2-[benzyl(methyl)amino]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24968112
N-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-4-carboxamide
CID 134535540

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 24955890) is 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1nc2c(s1)CN(c1nc(C(=O)Nc3ccccc3N3CCNCC3)cs1)C2.
What is the InChIKey of 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SUBDBUFPZAZATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS2/c1-13-22-15-10-26(11-18(15)29-13)20-24-16(12-28-20)19(27)23-14-4-2-3-5-17(14)25-8-6-21-7-9-25/h2-5,12,21H,6-11H2,1H3,(H,23,27).
What are the key properties of 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 426.57 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24955890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).