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

C12H17N5OS — CID 55119507

IUPAC2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H17N5OS/c1-8-9(6-15-17-8)3-2-4-14-11(18)5-10-7-19-12(13)16-10/h6-7H,2-5H2,1H3,(H2,13,16)(H,14,18)(H,15,17)
InChIKeyXOGXMTOQNWCPNJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.05
Rot. Bonds6

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

2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (PubChem CID 55119507) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
PubChem CID55119507
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
SMILESCc1[nH]ncc1CCCNC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H17N5OS/c1-8-9(6-15-17-8)3-2-4-14-11(18)5-10-7-19-12(13)16-10/h6-7H,2-5H2,1H3,(H2,13,16)(H,14,18)(H,15,17)
InChIKeyXOGXMTOQNWCPNJ-UHFFFAOYSA-N
XLogP1.05
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-1,3-thiazol-4-yl)-N-(3-hydroxypropyl)acetamide
CID 62797982
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
3-chloro-4-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 103403401
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106047664
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 55119743
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 79749621
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide (CID 55119507) is 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is Cc1[nH]ncc1CCCNC(=O)Cc1csc(N)n1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
The InChIKey is XOGXMTOQNWCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-9(6-15-17-8)3-2-4-14-11(18)5-10-7-19-12(13)16-10/h6-7H,2-5H2,1H3,(H2,13,16)(H,14,18)(H,15,17).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 55119507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).