4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

C16H17N5O2S — CID 46942797

IUPAC4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)c3ccccc3)cs2)n1
InChIInChI=1S/C16H17N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h3-9,14H,17H2,1-2H3,(H,18,19,20,21)
InChIKeyDKIBKLXGTGGQNB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.74
Rot. Bonds6

About 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine

4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 46942797) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID46942797
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOc1cc(OC)nc(Nc2nc(C(N)c3ccccc3)cs2)n1
InChIInChI=1S/C16H17N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h3-9,14H,17H2,1-2H3,(H,18,19,20,21)
InChIKeyDKIBKLXGTGGQNB-UHFFFAOYSA-N
XLogP2.74
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1-amino-2-phenylethyl)-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46942434
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46942615
4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46943123
4-[1-amino-2-(4-fluorophenyl)ethyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46943562
4-(1-amino-3-phenylpropyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 46944113
4-[amino-(2-chlorophenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49786741
4-(1-amino-2-phenylmethoxyethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49790904
4-(1-amino-2-phenylethyl)-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49791228
4-[amino(phenyl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49791375
4-[amino(cyclohexyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine
CID 155538885
tert-butyl (3R)-3-[[5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 89554301
(3R)-3-[[5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methoxy-2-methylsulfanylpyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 117677556

Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine (CID 46942797) is 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is COc1cc(OC)nc(Nc2nc(C(N)c3ccccc3)cs2)n1.
What is the InChIKey of 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is DKIBKLXGTGGQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-22-12-8-13(23-2)20-15(19-12)21-16-18-11(9-24-16)14(17)10-6-4-3-5-7-10/h3-9,14H,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 343.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-N-(4,6-dimethoxypyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46942797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).