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

C14H16N4S2 — CID 8963818

IUPAC4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N(C)C)n2)c(C)n1-c1nccs1
InChIInChI=1S/C14H16N4S2/c1-9-7-11(12-8-20-14(16-12)17(3)4)10(2)18(9)13-15-5-6-19-13/h5-8H,1-4H3
InChIKeyVDKLUJWSAYTWSQ-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.74
Rot. Bonds3

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

4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 8963818) has the molecular formula C14H16N4S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID8963818
Molecular FormulaC14H16N4S2
Molecular Weight304.44 g/mol
Exact Mass304.08
IUPAC Name4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N(C)C)n2)c(C)n1-c1nccs1
InChIInChI=1S/C14H16N4S2/c1-9-7-11(12-8-20-14(16-12)17(3)4)10(2)18(9)13-15-5-6-19-13/h5-8H,1-4H3
InChIKeyVDKLUJWSAYTWSQ-UHFFFAOYSA-N
XLogP3.74
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 8963818) is 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine is Cc1cc(-c2csc(N(C)C)n2)c(C)n1-c1nccs1.
What is the InChIKey of 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is VDKLUJWSAYTWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2/c1-9-7-11(12-8-20-14(16-12)17(3)4)10(2)18(9)13-15-5-6-19-13/h5-8H,1-4H3.
What are the key properties of 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine?
4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 304.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8963818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).