4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine

C11H13N3S — CID 18526481

IUPAC4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H13N3S/c1-14(2)9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyPNDUEUXKZRROFE-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.46
Rot. Bonds2

About 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine

4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine (PubChem CID 18526481) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
PubChem CID18526481
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
SMILESCN(C)c1ccc(-c2csc(N)n2)cc1
InChIInChI=1S/C11H13N3S/c1-14(2)9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,1-2H3,(H2,12,13)
InChIKeyPNDUEUXKZRROFE-UHFFFAOYSA-N
XLogP2.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine (CID 18526481) is 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine is CN(C)c1ccc(-c2csc(N)n2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
The InChIKey is PNDUEUXKZRROFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-14(2)9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine?
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 18526481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).