2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C16H17N5OS — CID 166362835

IUPAC2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCN(C(=O)C(N)Cc1ccn[nH]1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H17N5OS/c1-21(16(22)14(17)10-12-6-7-19-20-12)13-4-2-11(3-5-13)15-18-8-9-23-15/h2-9,14H,10,17H2,1H3,(H,19,20)
InChIKeyXHLNIIWYSCOHTG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.07
Rot. Bonds5

About 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 166362835) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID166362835
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCN(C(=O)C(N)Cc1ccn[nH]1)c1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H17N5OS/c1-21(16(22)14(17)10-12-6-7-19-20-12)13-4-2-11(3-5-13)15-18-8-9-23-15/h2-9,14H,10,17H2,1H3,(H,19,20)
InChIKeyXHLNIIWYSCOHTG-UHFFFAOYSA-N
XLogP2.07
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 166362835) is 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is CN(C(=O)C(N)Cc1ccn[nH]1)c1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is XHLNIIWYSCOHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-21(16(22)14(17)10-12-6-7-19-20-12)13-4-2-11(3-5-13)15-18-8-9-23-15/h2-9,14H,10,17H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-3-(1H-pyrazol-5-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 166362835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).