5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine

C9H9ClN4S — CID 117273149

IUPAC5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C9H9ClN4S/c1-5-7(15-9(11-2)13-5)6-3-4-12-8(10)14-6/h3-4H,1-2H3,(H,11,13)
InChIKeyMYTXSDPIOTVIHE-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.60
Rot. Bonds2

About 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine

5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 117273149) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID117273149
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(C)c(-c2ccnc(Cl)n2)s1
InChIInChI=1S/C9H9ClN4S/c1-5-7(15-9(11-2)13-5)6-3-4-12-8(10)14-6/h3-4H,1-2H3,(H,11,13)
InChIKeyMYTXSDPIOTVIHE-UHFFFAOYSA-N
XLogP2.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 117273149) is 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine is CNc1nc(C)c(-c2ccnc(Cl)n2)s1.
What is the InChIKey of 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MYTXSDPIOTVIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-5-7(15-9(11-2)13-5)6-3-4-12-8(10)14-6/h3-4H,1-2H3,(H,11,13).
What are the key properties of 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine?
5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloropyrimidin-4-yl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 117273149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).