4,5-dimethylidene-1,3-thiazol-2-amine

C5H6N2S — CID 91550098

IUPAC4,5-dimethylidene-1,3-thiazol-2-amine
SMILESC=c1nc(N)sc1=C
InChIInChI=1S/C5H6N2S/c1-3-4(2)8-5(6)7-3/h1-2H2,(H2,6,7)
InChIKeyRQDGDBKHYYQPJP-UHFFFAOYSA-N
MW126.18 g/mol
LogP-0.45
Rot. Bonds

About 4,5-dimethylidene-1,3-thiazol-2-amine

4,5-dimethylidene-1,3-thiazol-2-amine (PubChem CID 91550098) has the molecular formula C5H6N2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 4,5-dimethylidene-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethylidene-1,3-thiazol-2-amine
PubChem CID91550098
Molecular FormulaC5H6N2S
Molecular Weight126.18 g/mol
Exact Mass126.03
IUPAC Name4,5-dimethylidene-1,3-thiazol-2-amine
SMILESC=c1nc(N)sc1=C
InChIInChI=1S/C5H6N2S/c1-3-4(2)8-5(6)7-3/h1-2H2,(H2,6,7)
InChIKeyRQDGDBKHYYQPJP-UHFFFAOYSA-N
XLogP-0.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethylidene-1,3-thiazol-2-amine (CID 91550098) is 4,5-dimethylidene-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethylidene-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethylidene-1,3-thiazol-2-amine is C=c1nc(N)sc1=C.
What is the InChIKey of 4,5-dimethylidene-1,3-thiazol-2-amine?
The InChIKey is RQDGDBKHYYQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S/c1-3-4(2)8-5(6)7-3/h1-2H2,(H2,6,7).
What are the key properties of 4,5-dimethylidene-1,3-thiazol-2-amine?
4,5-dimethylidene-1,3-thiazol-2-amine has a molecular weight of 126.18 g/mol, XLogP of -0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1,3-thiazol-2-amine is sourced from PubChem (CID 91550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).