4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C14H14Cl2N4S — CID 139794174

IUPAC4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(C1=NCCCN1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H14Cl2N4S/c1-20(13-17-5-2-6-18-13)14-19-12(8-21-14)10-4-3-9(15)7-11(10)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyZOICLPUBXINWQP-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.90
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 139794174) has the molecular formula C14H14Cl2N4S and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID139794174
Molecular FormulaC14H14Cl2N4S
Molecular Weight341.27 g/mol
Exact Mass340.03
IUPAC Name4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCN(C1=NCCCN1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H14Cl2N4S/c1-20(13-17-5-2-6-18-13)14-19-12(8-21-14)10-4-3-9(15)7-11(10)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)
InChIKeyZOICLPUBXINWQP-UHFFFAOYSA-N
XLogP3.90
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 139794174) is 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is CN(C1=NCCCN1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZOICLPUBXINWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4S/c1-20(13-17-5-2-6-18-13)14-19-12(8-21-14)10-4-3-9(15)7-11(10)16/h3-4,7-8H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 341.27 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 139794174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).