2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C12H18ClN5S — CID 105158761

IUPAC2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCc1nn(C)c(CC(N)c2snnc2C(C)C)c1Cl
InChIInChI=1S/C12H18ClN5S/c1-6(2)11-12(19-17-15-11)8(14)5-9-10(13)7(3)16-18(9)4/h6,8H,5,14H2,1-4H3
InChIKeyFKAOCDFHEWUNQT-UHFFFAOYSA-N
MW299.83 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105158761) has the molecular formula C12H18ClN5S and a molecular weight of 299.83 g/mol. Its IUPAC name is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105158761
Molecular FormulaC12H18ClN5S
Molecular Weight299.83 g/mol
Exact Mass299.10
IUPAC Name2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCc1nn(C)c(CC(N)c2snnc2C(C)C)c1Cl
InChIInChI=1S/C12H18ClN5S/c1-6(2)11-12(19-17-15-11)8(14)5-9-10(13)7(3)16-18(9)4/h6,8H,5,14H2,1-4H3
InChIKeyFKAOCDFHEWUNQT-UHFFFAOYSA-N
XLogP2.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.83
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105106544
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158843
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105125386
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616317
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136962
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104996806
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877832
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104996691
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105161548
2-(2-chloro-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622687
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
CID 66057532

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105158761) is 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is Cc1nn(C)c(CC(N)c2snnc2C(C)C)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is FKAOCDFHEWUNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5S/c1-6(2)11-12(19-17-15-11)8(14)5-9-10(13)7(3)16-18(9)4/h6,8H,5,14H2,1-4H3.
What are the key properties of 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 299.83 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105158761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).