N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C21H22N2OS2 — CID 24630594

IUPACN-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C21H22N2OS2/c1-14(2)19-6-4-5-15(3)20(19)23-21(24)16-7-9-18(10-8-16)26-12-17-11-25-13-22-17/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyXJLKOKYIAQEJBP-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.12
Rot. Bonds6

About N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 24630594) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID24630594
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C21H22N2OS2/c1-14(2)19-6-4-5-15(3)20(19)23-21(24)16-7-9-18(10-8-16)26-12-17-11-25-13-22-17/h4-11,13-14H,12H2,1-3H3,(H,23,24)
InChIKeyXJLKOKYIAQEJBP-UHFFFAOYSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630692
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630561
N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30599996
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630642
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
N-(3-chloro-4-methoxyphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630620
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 47240041

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 24630594) is N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(SCc2cscn2)cc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is XJLKOKYIAQEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c1-14(2)19-6-4-5-15(3)20(19)23-21(24)16-7-9-18(10-8-16)26-12-17-11-25-13-22-17/h4-11,13-14H,12H2,1-3H3,(H,23,24).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 382.55 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 24630594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).