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

C12H16N4S — CID 136988923

IUPAC4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCN1CCNC(c2csc(-c3cc[nH]c3)n2)C1
InChIInChI=1S/C12H16N4S/c1-16-5-4-14-10(7-16)11-8-17-12(15-11)9-2-3-13-6-9/h2-3,6,8,10,13-14H,4-5,7H2,1H3
InChIKeyJCNQSDNKPHUYNS-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.71
Rot. Bonds2

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

4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136988923) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136988923
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCN1CCNC(c2csc(-c3cc[nH]c3)n2)C1
InChIInChI=1S/C12H16N4S/c1-16-5-4-14-10(7-16)11-8-17-12(15-11)9-2-3-13-6-9/h2-3,6,8,10,13-14H,4-5,7H2,1H3
InChIKeyJCNQSDNKPHUYNS-UHFFFAOYSA-N
XLogP1.71
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(4-methylpiperazin-2-yl)-6-pyridin-4-ylpyrimidine
CID 116895618
4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
4-(3-bromophenyl)-2-(4-methylpiperazin-2-yl)-1,3-thiazole
CID 116966532
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
2-(furan-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104853434
2-(1-methylpyrazol-3-yl)-4-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
CID 104928825
4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988830
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
4-[(2S)-pyrrolidin-2-yl]-2-thiophen-3-yl-1,3-thiazole
CID 104853421
4-(5-bromothiophen-2-yl)-2-(4-methylpiperazin-2-yl)pyrimidine
CID 116901866
2-(4-bromo-3,5-dimethylphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456862

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136988923) is 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is CN1CCNC(c2csc(-c3cc[nH]c3)n2)C1.
What is the InChIKey of 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is JCNQSDNKPHUYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16-5-4-14-10(7-16)11-8-17-12(15-11)9-2-3-13-6-9/h2-3,6,8,10,13-14H,4-5,7H2,1H3.
What are the key properties of 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-2-yl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136988923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).