4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole

C16H17N5S — CID 126838147

IUPAC4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
SMILESCn1nccc1-c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H17N5S/c1-20-14(6-7-18-20)13-11-22-16(19-13)12-4-5-15(17-10-12)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyIYBHFBXHHFOSHQ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.21
Rot. Bonds3

About 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole

4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole (PubChem CID 126838147) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
PubChem CID126838147
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC Name4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole
SMILESCn1nccc1-c1csc(-c2ccc(N3CCCC3)nc2)n1
InChIInChI=1S/C16H17N5S/c1-20-14(6-7-18-20)13-11-22-16(19-13)12-4-5-15(17-10-12)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3
InChIKeyIYBHFBXHHFOSHQ-UHFFFAOYSA-N
XLogP3.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole (CID 126838147) is 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole is Cn1nccc1-c1csc(-c2ccc(N3CCCC3)nc2)n1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
The InChIKey is IYBHFBXHHFOSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-20-14(6-7-18-20)13-11-22-16(19-13)12-4-5-15(17-10-12)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole?
4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 126838147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).