3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide

C22H23N5OS — CID 87941730

IUPAC3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C22H23N5OS/c1-13(2)8-14-4-5-16(21(23)28)10-17(14)25-22-26-19(11-29-22)15-6-7-20-18(9-15)24-12-27(20)3/h4-7,9-13H,8H2,1-3H3,(H2,23,28)(H,25,26)
InChIKeyHMOKLWPUODDXMC-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.74
Rot. Bonds6

About 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide

3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide (PubChem CID 87941730) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
PubChem CID87941730
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide
SMILESCC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1
InChIInChI=1S/C22H23N5OS/c1-13(2)8-14-4-5-16(21(23)28)10-17(14)25-22-26-19(11-29-22)15-6-7-20-18(9-15)24-12-27(20)3/h4-7,9-13H,8H2,1-3H3,(H2,23,28)(H,25,26)
InChIKeyHMOKLWPUODDXMC-UHFFFAOYSA-N
XLogP4.74
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
1-[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]ethanone
CID 116867483
3-[[4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 87944560
4-methoxy-2-methyl-5-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]methyl]benzamide
CID 158900743
2-ethyl-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole
CID 116970087
3-methylbenzimidazole-5-carboxamide
CID 21105052
3-[[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]methyl]-4-(2-methylpropyl)benzamide
CID 158405486
3-methoxy-4-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 86665636
3-[[4-[4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]phenyl]-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 71472588
4-propan-2-yloxy-3-[[4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazol-2-yl]amino]benzamide
CID 71472276
3-[[4-(4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-4-propan-2-yloxybenzamide
CID 123335380
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?
The IUPAC name of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide (CID 87941730) is 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc(-c2ccc3c(c2)ncn3C)cs1.
What is the InChIKey of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?
The InChIKey is HMOKLWPUODDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-13(2)8-14-4-5-16(21(23)28)10-17(14)25-22-26-19(11-29-22)15-6-7-20-18(9-15)24-12-27(20)3/h4-7,9-13H,8H2,1-3H3,(H2,23,28)(H,25,26).
What are the key properties of 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide?
3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide has a molecular weight of 405.53 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1-methylbenzimidazol-5-yl)-1,3-thiazol-2-yl]amino]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 87941730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).