4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide

C12H18N6OS — CID 116672549

IUPAC4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCCn2cccn2)s1
InChIInChI=1S/C12H18N6OS/c1-2-14-12-17-10(13)9(20-12)11(19)15-5-3-7-18-8-4-6-16-18/h4,6,8H,2-3,5,7,13H2,1H3,(H,14,17)(H,15,19)
InChIKeyIAJPLLOGAUKLFY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.17
Rot. Bonds7

About 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116672549) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116672549
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCCCn2cccn2)s1
InChIInChI=1S/C12H18N6OS/c1-2-14-12-17-10(13)9(20-12)11(19)15-5-3-7-18-8-4-6-16-18/h4,6,8H,2-3,5,7,13H2,1H3,(H,14,17)(H,15,19)
InChIKeyIAJPLLOGAUKLFY-UHFFFAOYSA-N
XLogP1.17
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 106343636
4-amino-2-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665505
4-amino-2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664869
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116663961
4-amino-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 116673637
4-amino-2-(2-methylpropylamino)-N-(3-methylsulfonylpropyl)-1,3-thiazole-5-carboxamide
CID 116664659
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 116672549) is 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCCCn2cccn2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IAJPLLOGAUKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-2-14-12-17-10(13)9(20-12)11(19)15-5-3-7-18-8-4-6-16-18/h4,6,8H,2-3,5,7,13H2,1H3,(H,14,17)(H,15,19).
What are the key properties of 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).