[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone

C10H12N4OS — CID 103133297

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2csc(CCN)n2)n1
InChIInChI=1S/C10H12N4OS/c1-14-5-3-7(13-14)10(15)8-6-16-9(12-8)2-4-11/h3,5-6H,2,4,11H2,1H3
InChIKeyQJGDGRZXKWJXBG-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.61
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 103133297) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID103133297
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)c2csc(CCN)n2)n1
InChIInChI=1S/C10H12N4OS/c1-14-5-3-7(13-14)10(15)8-6-16-9(12-8)2-4-11/h3,5-6H,2,4,11H2,1H3
InChIKeyQJGDGRZXKWJXBG-UHFFFAOYSA-N
XLogP0.61
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023866
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 80682880
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole-4-carboxamide
CID 79100029
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
2-(2-aminoethyl)-N-(2,5-dimethylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66372657
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-propoxyphenyl)methanone
CID 116585478
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 116585426

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone (CID 103133297) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)c2csc(CCN)n2)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is QJGDGRZXKWJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-14-5-3-7(13-14)10(15)8-6-16-9(12-8)2-4-11/h3,5-6H,2,4,11H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 236.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 103133297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).