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

C15H21N3S — CID 8878336

IUPAC4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESC=CCn1c(C)cc(-c2csc(NC(C)C)n2)c1C
InChIInChI=1S/C15H21N3S/c1-6-7-18-11(4)8-13(12(18)5)14-9-19-15(17-14)16-10(2)3/h6,8-10H,1,7H2,2-5H3,(H,16,17)
InChIKeyYYRTWWMJHWCVEH-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.23
Rot. Bonds5

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

4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 8878336) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID8878336
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESC=CCn1c(C)cc(-c2csc(NC(C)C)n2)c1C
InChIInChI=1S/C15H21N3S/c1-6-7-18-11(4)8-13(12(18)5)14-9-19-15(17-14)16-10(2)3/h6,8-10H,1,7H2,2-5H3,(H,16,17)
InChIKeyYYRTWWMJHWCVEH-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-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]pyridine-3-carboxamide
CID 17444447
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 7529140
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-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-(2-methoxyphenyl)-1,3-thiazole
CID 8965050
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
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
3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate
CID 51645903
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24595488
1-ethyl-6-methyl-3-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyridin-2-one
CID 82525387
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 18289126

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 8878336) is 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine is C=CCn1c(C)cc(-c2csc(NC(C)C)n2)c1C.
What is the InChIKey of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is YYRTWWMJHWCVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-6-7-18-11(4)8-13(12(18)5)14-9-19-15(17-14)16-10(2)3/h6,8-10H,1,7H2,2-5H3,(H,16,17).
What are the key properties of 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 8878336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).