N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide

C24H22N4O2S2 — CID 3493678

IUPACN,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1sc(NC(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O2S2/c1-15-21(17-9-5-3-6-10-17)27-23(31-15)25-19(29)13-14-20(30)26-24-28-22(16(2)32-24)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyFBPIAFAHAHIVGK-UHFFFAOYSA-N
MW462.60 g/mol
LogP5.91
Rot. Bonds7

About N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide

N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide (PubChem CID 3493678) has the molecular formula C24H22N4O2S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
PubChem CID3493678
Molecular FormulaC24H22N4O2S2
Molecular Weight462.60 g/mol
Exact Mass462.12
IUPAC NameN,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
SMILESCc1sc(NC(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1
InChIInChI=1S/C24H22N4O2S2/c1-15-21(17-9-5-3-6-10-17)27-23(31-15)25-19(29)13-14-20(30)26-24-28-22(16(2)32-24)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,25,27,29)(H,26,28,30)
InChIKeyFBPIAFAHAHIVGK-UHFFFAOYSA-N
XLogP5.91
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyano-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19173139
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethoxy]acetic acid
CID 17373740
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 6464387
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-(2-ethoxyphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 16644162
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide (CID 3493678) is N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide is Cc1sc(NC(=O)CCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nc1-c1ccccc1.
What is the InChIKey of N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide?
The InChIKey is FBPIAFAHAHIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S2/c1-15-21(17-9-5-3-6-10-17)27-23(31-15)25-19(29)13-14-20(30)26-24-28-22(16(2)32-24)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3,(H,25,27,29)(H,26,28,30).
What are the key properties of N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide?
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide has a molecular weight of 462.60 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 3493678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).