4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine

C12H15N3S — CID 77040314

IUPAC4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1[nH]c(C=Cc2csc(N)n2)c(C)c1C
InChIInChI=1S/C12H15N3S/c1-7-8(2)11(14-9(7)3)5-4-10-6-16-12(13)15-10/h4-6,14H,1-3H3,(H2,13,15)
InChIKeyKVLPBDDEVFIXNO-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.15
Rot. Bonds2

About 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine

4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine (PubChem CID 77040314) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine
PubChem CID77040314
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine
SMILESCc1[nH]c(C=Cc2csc(N)n2)c(C)c1C
InChIInChI=1S/C12H15N3S/c1-7-8(2)11(14-9(7)3)5-4-10-6-16-12(13)15-10/h4-6,14H,1-3H3,(H2,13,15)
InChIKeyKVLPBDDEVFIXNO-UHFFFAOYSA-N
XLogP3.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine (CID 77040314) is 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine is Cc1[nH]c(C=Cc2csc(N)n2)c(C)c1C.
What is the InChIKey of 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine?
The InChIKey is KVLPBDDEVFIXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-7-8(2)11(14-9(7)3)5-4-10-6-16-12(13)15-10/h4-6,14H,1-3H3,(H2,13,15).
What are the key properties of 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine?
4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine has a molecular weight of 233.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trimethyl-1H-pyrrol-2-yl)ethenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 77040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).