4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine

C8H10ClN5S — CID 130496011

IUPAC4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
SMILESCC(C)n1ccc(Nc2nsnc2Cl)n1
InChIInChI=1S/C8H10ClN5S/c1-5(2)14-4-3-6(11-14)10-8-7(9)12-15-13-8/h3-5H,1-2H3,(H,10,11,13)
InChIKeyVELJCBBQKKHKRV-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine (PubChem CID 130496011) has the molecular formula C8H10ClN5S and a molecular weight of 243.72 g/mol. Its IUPAC name is 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
PubChem CID130496011
Molecular FormulaC8H10ClN5S
Molecular Weight243.72 g/mol
Exact Mass243.03
IUPAC Name4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine
SMILESCC(C)n1ccc(Nc2nsnc2Cl)n1
InChIInChI=1S/C8H10ClN5S/c1-5(2)14-4-3-6(11-14)10-8-7(9)12-15-13-8/h3-5H,1-2H3,(H,10,11,13)
InChIKeyVELJCBBQKKHKRV-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-5-propan-2-yl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251632
6-chloro-N-(1-propan-2-ylpyrazol-3-yl)-5-propylpyrimidin-4-amine
CID 114251639
5-chloro-2-N-(1-propan-2-ylpyrazol-3-yl)pyridine-2,3-diamine
CID 114251516
5-chloro-4-N-(1-propan-2-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 114250731
6-chloro-5-nitro-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114251640
N,1-di(propan-2-yl)pyrazol-3-amine
CID 130477356
5-chloro-6-[(1-propan-2-ylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 114250932
N,1-di(propan-2-yl)pyrazol-3-amine;ethane
CID 169238022
N-(2-fluoroethyl)-1-propan-2-ylpyrazol-3-amine
CID 130496244
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250770
6-hydrazinyl-5-methoxy-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
CID 114250773
6-[(1-propan-2-ylpyrazol-3-yl)amino]pyrazine-2-carboxylic acid
CID 114250935

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine (CID 130496011) is 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine is CC(C)n1ccc(Nc2nsnc2Cl)n1.
What is the InChIKey of 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine?
The InChIKey is VELJCBBQKKHKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5S/c1-5(2)14-4-3-6(11-14)10-8-7(9)12-15-13-8/h3-5H,1-2H3,(H,10,11,13).
What are the key properties of 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine has a molecular weight of 243.72 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-propan-2-ylpyrazol-3-yl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 130496011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).