N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

C23H24N4O2S2 — CID 19490759

IUPACN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c2)c1
InChIInChI=1S/C23H24N4O2S2/c1-13-6-14(2)15(3)20(7-13)29-10-17-8-21(30-11-17)22(28)26-23-25-19(12-31-23)18-9-24-27(5)16(18)4/h6-9,11-12H,10H2,1-5H3,(H,25,26,28)
InChIKeySUQZRACQJMNBHZ-UHFFFAOYSA-N
MW452.61 g/mol
LogP5.67
Rot. Bonds6

About N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19490759) has the molecular formula C23H24N4O2S2 and a molecular weight of 452.61 g/mol. Its IUPAC name is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19490759
Molecular FormulaC23H24N4O2S2
Molecular Weight452.61 g/mol
Exact Mass452.13
IUPAC NameN-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(C)c(OCc2csc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c2)c1
InChIInChI=1S/C23H24N4O2S2/c1-13-6-14(2)15(3)20(7-13)29-10-17-8-21(30-11-17)22(28)26-23-25-19(12-31-23)18-9-24-27(5)16(18)4/h6-9,11-12H,10H2,1-5H3,(H,25,26,28)
InChIKeySUQZRACQJMNBHZ-UHFFFAOYSA-N
XLogP5.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.61
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,4-difluorophenoxy)methyl]-N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19469810
4-[(3,5-dimethylphenoxy)methyl]-N-[4-(1-ethyl-5-methylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19505564
N-(4-methyl-1,3-benzothiazol-2-yl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489061
N-(3,4-dimethylphenyl)-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489010
4-[(2-chloro-5-methylphenoxy)methyl]-N-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19488940
N-[4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495148
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490795
N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19489124
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
4-[(2,4-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19483664
4-[(2,5-dimethylphenoxy)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 19471721
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19490728

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19490759) is N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3nc(-c4cnn(C)c4C)cs3)c2)c1.
What is the InChIKey of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is SUQZRACQJMNBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S2/c1-13-6-14(2)15(3)20(7-13)29-10-17-8-21(30-11-17)22(28)26-23-25-19(12-31-23)18-9-24-27(5)16(18)4/h6-9,11-12H,10H2,1-5H3,(H,25,26,28).
What are the key properties of N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?
N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 452.61 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19490759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).