5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C18H20ClN5S — CID 52942781

IUPAC5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C18H20ClN5S/c1-11(2)21-18-20-10-16(25-18)15-9-14(22-17(23-15)24(3)4)12-7-5-6-8-13(12)19/h5-11H,1-4H3,(H,20,21)
InChIKeyICEIOGQLXCVBJH-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.81
Rot. Bonds5

About 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 52942781) has the molecular formula C18H20ClN5S and a molecular weight of 373.91 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID52942781
Molecular FormulaC18H20ClN5S
Molecular Weight373.91 g/mol
Exact Mass373.11
IUPAC Name5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N(C)C)n2)s1
InChIInChI=1S/C18H20ClN5S/c1-11(2)21-18-20-10-16(25-18)15-9-14(22-17(23-15)24(3)4)12-7-5-6-8-13(12)19/h5-11H,1-4H3,(H,20,21)
InChIKeyICEIOGQLXCVBJH-UHFFFAOYSA-N
XLogP4.81
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 52942781) is 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N(C)C)n2)s1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ICEIOGQLXCVBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5S/c1-11(2)21-18-20-10-16(25-18)15-9-14(22-17(23-15)24(3)4)12-7-5-6-8-13(12)19/h5-11H,1-4H3,(H,20,21).
What are the key properties of 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 373.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 52942781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).