2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

C9H6N4S2 — CID 177255972

IUPAC2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2cc(-c3nccs3)[nH]n2)n1
InChIInChI=1S/C9H6N4S2/c1-3-14-8(10-1)6-5-7(13-12-6)9-11-2-4-15-9/h1-5H,(H,12,13)
InChIKeyVNDUUQUTXKQLIL-UHFFFAOYSA-N
MW234.31 g/mol
LogP2.66
Rot. Bonds2

About 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole

2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole (PubChem CID 177255972) has the molecular formula C9H6N4S2 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
PubChem CID177255972
Molecular FormulaC9H6N4S2
Molecular Weight234.31 g/mol
Exact Mass234.00
IUPAC Name2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
SMILESc1csc(-c2cc(-c3nccs3)[nH]n2)n1
InChIInChI=1S/C9H6N4S2/c1-3-14-8(10-1)6-5-7(13-12-6)9-11-2-4-15-9/h1-5H,(H,12,13)
InChIKeyVNDUUQUTXKQLIL-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 53406906
N-ethyl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 64993636
N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887
2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 10582938
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 22767721
5-(1,3-thiazol-2-yl)-1H-pyrazin-2-one
CID 165444968
2-[3-(1,3-thiazol-2-yl)-1H-1,2,4-triazol-5-yl]-1,3,4-thiadiazole
CID 173438485
2-(5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-yl)-1,3-thiazole
CID 141399315
2-(5-fluoro-3-pyridinyl)-1,3-thiazole
CID 66633860
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
CID 100950298

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The IUPAC name of 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole (CID 177255972) is 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole is c1csc(-c2cc(-c3nccs3)[nH]n2)n1.
What is the InChIKey of 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
The InChIKey is VNDUUQUTXKQLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S2/c1-3-14-8(10-1)6-5-7(13-12-6)9-11-2-4-15-9/h1-5H,(H,12,13).
What are the key properties of 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole?
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole has a molecular weight of 234.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole is sourced from PubChem (CID 177255972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).