N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H20N4OS — CID 51352664

IUPACN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C20H20N4OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13/h6-11,13-14H,2-5H2,1H3,(H,22,25)
InChIKeyOINQZFVFJYCDQI-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.64
Rot. Bonds5

About N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 51352664) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID51352664
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1
InChIInChI=1S/C20H20N4OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13/h6-11,13-14H,2-5H2,1H3,(H,22,25)
InChIKeyOINQZFVFJYCDQI-UHFFFAOYSA-N
XLogP4.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 51352664) is N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1.
What is the InChIKey of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OINQZFVFJYCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-12-19(26-11-21-12)20(25)22-15-6-8-16(9-7-15)24-18(14-4-5-14)10-17(23-24)13-2-3-13/h6-11,13-14H,2-5H2,1H3,(H,22,25).
What are the key properties of N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51352664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).