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

C20H21N5OS — CID 91758378

IUPACN-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(N)c1
InChIInChI=1S/C20H21N5OS/c1-11-19(27-10-22-11)20(26)23-14-6-7-17(15(21)8-14)25-18(13-4-5-13)9-16(24-25)12-2-3-12/h6-10,12-13H,2-5,21H2,1H3,(H,23,26)
InChIKeyQYSGVHHIIBJAQX-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.23
Rot. Bonds5

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

N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 91758378) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID91758378
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(N)c1
InChIInChI=1S/C20H21N5OS/c1-11-19(27-10-22-11)20(26)23-14-6-7-17(15(21)8-14)25-18(13-4-5-13)9-16(24-25)12-2-3-12/h6-10,12-13H,2-5,21H2,1H3,(H,23,26)
InChIKeyQYSGVHHIIBJAQX-UHFFFAOYSA-N
XLogP4.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 91758378) is N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(N)c1.
What is the InChIKey of N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QYSGVHHIIBJAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-11-19(27-10-22-11)20(26)23-14-6-7-17(15(21)8-14)25-18(13-4-5-13)9-16(24-25)12-2-3-12/h6-10,12-13H,2-5,21H2,1H3,(H,23,26).
What are the key properties of N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(3,5-dicyclopropylpyrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91758378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).