4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride

C17H19ClN4S — CID 126797870

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCn1c(C)cc(-c2csc(Nc3ccccn3)n2)c1C.Cl
InChIInChI=1S/C17H18N4S.ClH/c1-4-9-21-12(2)10-14(13(21)3)15-11-22-17(19-15)20-16-7-5-6-8-18-16;/h4-8,10-11H,1,9H2,2-3H3,(H,18,19,20);1H
InChIKeyBJELKXUZXKPXDL-UHFFFAOYSA-N
MW346.89 g/mol
LogP4.97
Rot. Bonds5

About 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride (PubChem CID 126797870) has the molecular formula C17H19ClN4S and a molecular weight of 346.89 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
PubChem CID126797870
Molecular FormulaC17H19ClN4S
Molecular Weight346.89 g/mol
Exact Mass346.10
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
SMILESC=CCn1c(C)cc(-c2csc(Nc3ccccn3)n2)c1C.Cl
InChIInChI=1S/C17H18N4S.ClH/c1-4-9-21-12(2)10-14(13(21)3)15-11-22-17(19-15)20-16-7-5-6-8-18-16;/h4-8,10-11H,1,9H2,2-3H3,(H,18,19,20);1H
InChIKeyBJELKXUZXKPXDL-UHFFFAOYSA-N
XLogP4.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.89
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
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N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 17444447
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
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4-(2-amino-2-oxoethoxy)-N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 17466318
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 17455131
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CID 42644808
4-(2-fluorophenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264886
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24627452
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 7529140
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride (CID 126797870) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride is C=CCn1c(C)cc(-c2csc(Nc3ccccn3)n2)c1C.Cl.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BJELKXUZXKPXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S.ClH/c1-4-9-21-12(2)10-14(13(21)3)15-11-22-17(19-15)20-16-7-5-6-8-18-16;/h4-8,10-11H,1,9H2,2-3H3,(H,18,19,20);1H.
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 346.89 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 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)-N-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 126797870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).