N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide

C18H14N4OS2 — CID 42009736

IUPACN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)s1
InChIInChI=1S/C18H14N4OS2/c1-12-7-8-16(25-12)15-11-24-18(20-15)21-17(23)13-9-19-22(10-13)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23)
InChIKeySKLRMXNEXKZLJT-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.62
Rot. Bonds4

About N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide

N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (PubChem CID 42009736) has the molecular formula C18H14N4OS2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
PubChem CID42009736
Molecular FormulaC18H14N4OS2
Molecular Weight366.47 g/mol
Exact Mass366.06
IUPAC NameN-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)s1
InChIInChI=1S/C18H14N4OS2/c1-12-7-8-16(25-12)15-11-24-18(20-15)21-17(23)13-9-19-22(10-13)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23)
InChIKeySKLRMXNEXKZLJT-UHFFFAOYSA-N
XLogP4.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
1-tert-butyl-5-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
CID 112832463
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-ethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008522
3,4,5-trimethoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008469
N-[4-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24570119
3-methoxy-4-methyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42009828
4-(methylsulfonylmethyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 42008359
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621598
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266
2,2-dimethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112771339

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide (CID 42009736) is N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4)c3)n2)s1.
What is the InChIKey of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is SKLRMXNEXKZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS2/c1-12-7-8-16(25-12)15-11-24-18(20-15)21-17(23)13-9-19-22(10-13)14-5-3-2-4-6-14/h2-11H,1H3,(H,20,21,23).
What are the key properties of N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide?
N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 42009736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).