4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

C17H24N4S — CID 7529140

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESC=CCn1c(C)cc(-c2csc(N3CCN(C)CC3)n2)c1C
InChIInChI=1S/C17H24N4S/c1-5-6-21-13(2)11-15(14(21)3)16-12-22-17(18-16)20-9-7-19(4)8-10-20/h5,11-12H,1,6-10H2,2-4H3
InChIKeyFZADYDDDRKMRQN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.17
Rot. Bonds4

About 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (PubChem CID 7529140) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
PubChem CID7529140
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
SMILESC=CCn1c(C)cc(-c2csc(N3CCN(C)CC3)n2)c1C
InChIInChI=1S/C17H24N4S/c1-5-6-21-13(2)11-15(14(21)3)16-12-22-17(18-16)20-9-7-19(4)8-10-20/h5,11-12H,1,6-10H2,2-4H3
InChIKeyFZADYDDDRKMRQN-UHFFFAOYSA-N
XLogP3.17
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 4785495
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 8963955
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878336
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 8965050
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 7602094
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126797870
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 25475169
4-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole
CID 9268073
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 17443525
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 17444447
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
CID 7602102

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole (CID 7529140) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is C=CCn1c(C)cc(-c2csc(N3CCN(C)CC3)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is FZADYDDDRKMRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-5-6-21-13(2)11-15(14(21)3)16-12-22-17(18-16)20-9-7-19(4)8-10-20/h5,11-12H,1,6-10H2,2-4H3.
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 7529140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).