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

C16H18N4S2 — CID 56825160

IUPAC4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C16H18N4S2/c1-19-8-13(7-17-19)15-3-2-5-20(15)9-14-11-22-16(18-14)12-4-6-21-10-12/h4,6-8,10-11,15H,2-3,5,9H2,1H3
InChIKeyQTQLDWROAYUJME-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.94
Rot. Bonds4

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

4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 56825160) has the molecular formula C16H18N4S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID56825160
Molecular FormulaC16H18N4S2
Molecular Weight330.48 g/mol
Exact Mass330.10
IUPAC Name4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCn1cc(C2CCCN2Cc2csc(-c3ccsc3)n2)cn1
InChIInChI=1S/C16H18N4S2/c1-19-8-13(7-17-19)15-3-2-5-20(15)9-14-11-22-16(18-14)12-4-6-21-10-12/h4,6-8,10-11,15H,2-3,5,9H2,1H3
InChIKeyQTQLDWROAYUJME-UHFFFAOYSA-N
XLogP3.94
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53521914
2-pyrazol-1-yl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53533450
1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53564460
1-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 53568114
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 53600937
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propyl-1,3-thiazole
CID 53602914
4-[[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 53603908
2-Benzyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53609851
2-(4-methylpyrazol-1-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53615606
2-(4-methylpyrazol-1-yl)-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53615610
2-Cyclopentyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825166
2-Tert-butyl-4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 56825180

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole (CID 56825160) is 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is Cn1cc(C2CCCN2Cc2csc(-c3ccsc3)n2)cn1.
What is the InChIKey of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is QTQLDWROAYUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S2/c1-19-8-13(7-17-19)15-3-2-5-20(15)9-14-11-22-16(18-14)12-4-6-21-10-12/h4,6-8,10-11,15H,2-3,5,9H2,1H3.
What are the key properties of 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole?
4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 330.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 56825160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).