4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

C13H17N3S — CID 136988832

IUPAC4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2nc(CC3CCNCC3)cs2)c[nH]1
InChIInChI=1S/C13H17N3S/c1-4-14-5-2-10(1)7-12-9-17-13(16-12)11-3-6-15-8-11/h3,6,8-10,14-15H,1-2,4-5,7H2
InChIKeyFZUJCYVNQAEXKM-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.68
Rot. Bonds3

About 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136988832) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136988832
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2nc(CC3CCNCC3)cs2)c[nH]1
InChIInChI=1S/C13H17N3S/c1-4-14-5-2-10(1)7-12-9-17-13(16-12)11-3-6-15-8-11/h3,6,8-10,14-15H,1-2,4-5,7H2
InChIKeyFZUJCYVNQAEXKM-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988830
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
2-(3-bromophenyl)-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116888824
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
2-(piperidin-4-ylmethyl)-4-(1H-pyrrol-3-yl)pyrimidine
CID 116898986
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988923
[3-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]oxetan-3-yl]methanamine
CID 136988983
4-(cyclopentylmethyl)-2-pyridin-3-yl-1,3-thiazole
CID 67547913
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136988832) is 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is c1cc(-c2nc(CC3CCNCC3)cs2)c[nH]1.
What is the InChIKey of 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is FZUJCYVNQAEXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-14-5-2-10(1)7-12-9-17-13(16-12)11-3-6-15-8-11/h3,6,8-10,14-15H,1-2,4-5,7H2.
What are the key properties of 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 247.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136988832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).