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

C12H16N4OS — CID 103023866

IUPAC1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2csc(CCN)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-16-7-9(6-14-16)2-3-11(17)10-8-18-12(15-10)4-5-13/h6-8H,2-5,13H2,1H3
InChIKeyUFEZZRVLDHBPCT-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.19
Rot. Bonds6

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

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103023866) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103023866
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2csc(CCN)n2)cn1
InChIInChI=1S/C12H16N4OS/c1-16-7-9(6-14-16)2-3-11(17)10-8-18-12(15-10)4-5-13/h6-8H,2-5,13H2,1H3
InChIKeyUFEZZRVLDHBPCT-UHFFFAOYSA-N
XLogP1.19
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390430
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]pent-4-yn-1-one
CID 116585557
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 103133297
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(3,5-dimethylphenyl)ethanone
CID 116585354
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
8-amino-1-(1-methylpyrazol-4-yl)octan-3-one
CID 103023487
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-(2,6-dimethylphenyl)ethanone
CID 116585460
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-2-thiophen-3-ylethanone
CID 116585550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103023866) is 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2csc(CCN)n2)cn1.
What is the InChIKey of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is UFEZZRVLDHBPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-16-7-9(6-14-16)2-3-11(17)10-8-18-12(15-10)4-5-13/h6-8H,2-5,13H2,1H3.
What are the key properties of 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 264.35 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103023866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).