2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C16H24N4S — CID 56825180

IUPAC2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C16H24N4S/c1-16(2,3)15-18-13(11-21-15)10-20-7-5-6-14(20)12-8-17-19(4)9-12/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeySPOUTHROMIIPFC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.51
Rot. Bonds3

About 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 56825180) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID56825180
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(C(C)(C)C)n2)cn1
InChIInChI=1S/C16H24N4S/c1-16(2,3)15-18-13(11-21-15)10-20-7-5-6-14(20)12-8-17-19(4)9-12/h8-9,11,14H,5-7,10H2,1-4H3
InChIKeySPOUTHROMIIPFC-UHFFFAOYSA-N
XLogP3.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 56825180) is 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Cn1cc(C2CCCN2Cc2csc(C(C)(C)C)n2)cn1.
What is the InChIKey of 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SPOUTHROMIIPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-16(2,3)15-18-13(11-21-15)10-20-7-5-6-14(20)12-8-17-19(4)9-12/h8-9,11,14H,5-7,10H2,1-4H3.
What are the key properties of 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 304.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 56825180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).