4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine

C13H14N4S2 — CID 17458174

IUPAC4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCc1csc(-n2c(C)cc(-c3csc(N)n3)c2C)n1
InChIInChI=1S/C13H14N4S2/c1-7-5-19-13(15-7)17-8(2)4-10(9(17)3)11-6-18-12(14)16-11/h4-6H,1-3H3,(H2,14,16)
InChIKeyRGILXKUABNNWKM-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.56
Rot. Bonds2

About 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine

4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine (PubChem CID 17458174) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine
PubChem CID17458174
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCc1csc(-n2c(C)cc(-c3csc(N)n3)c2C)n1
InChIInChI=1S/C13H14N4S2/c1-7-5-19-13(15-7)17-8(2)4-10(9(17)3)11-6-18-12(14)16-11/h4-6H,1-3H3,(H2,14,16)
InChIKeyRGILXKUABNNWKM-UHFFFAOYSA-N
XLogP3.56
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-1,3-thiazol-2-amine
CID 8878280
4-(1-butyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 116791225
4-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87626101
4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963818
4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 82491191
4-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 8878267
4-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
CID 4789569
3-[2,5-dimethyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-5-methyl-1,2-oxazole
CID 7602102
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
methyl 4-[3-(2-amino-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]butanoate
CID 8878284
4-[2,5-dimethyl-1-[(4-nitrophenyl)methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 23008588
[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 3,5-diacetamidobenzoate
CID 42980474

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine (CID 17458174) is 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine is Cc1csc(-n2c(C)cc(-c3csc(N)n3)c2C)n1.
What is the InChIKey of 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is RGILXKUABNNWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-7-5-19-13(15-7)17-8(2)4-10(9(17)3)11-6-18-12(14)16-11/h4-6H,1-3H3,(H2,14,16).
What are the key properties of 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine?
4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 290.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 17458174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).