2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide

C17H18N4OS2 — CID 55881436

IUPAC2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C17H18N4OS2/c1-3-4-10-13-18-11(2)14(23-13)16(22)20-17-19-15(21-24-17)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,19,20,21,22)
InChIKeyYHPTZAUSBDECSA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.56
Rot. Bonds6

About 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide

2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 55881436) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID55881436
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)s1
InChIInChI=1S/C17H18N4OS2/c1-3-4-10-13-18-11(2)14(23-13)16(22)20-17-19-15(21-24-17)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,19,20,21,22)
InChIKeyYHPTZAUSBDECSA-UHFFFAOYSA-N
XLogP4.56
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55990409
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2-butyl-N-[5-(cyanomethylsulfanyl)-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55787970
3-chloro-6-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-benzothiophene-2-carboxamide
CID 35181108
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
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CID 135291997
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
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N-(3-phenyl-1,2,4-thiadiazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 47050295
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
4-(acetamidomethyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide (CID 55881436) is 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2nc(-c3ccccc3)ns2)s1.
What is the InChIKey of 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YHPTZAUSBDECSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-3-4-10-13-18-11(2)14(23-13)16(22)20-17-19-15(21-24-17)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3,(H,19,20,21,22).
What are the key properties of 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide?
2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55881436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).