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

C13H9ClN4S — CID 1476734

IUPAC4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)12-17-7-11(19-12)10-5-6-16-13(15)18-10/h1-7H,(H2,15,16,18)
InChIKeyFXJZXBADVLMAOX-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.50
Rot. Bonds2

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

4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 1476734) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID1476734
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC Name4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)12-17-7-11(19-12)10-5-6-16-13(15)18-10/h1-7H,(H2,15,16,18)
InChIKeyFXJZXBADVLMAOX-UHFFFAOYSA-N
XLogP3.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 91664233
5-(4-chlorophenyl)-2-phenyl-1,3-thiazole
CID 101443473
2-(4-chlorophenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1476728
4-(6-amino-3-pyridinyl)pyrimidin-2-amine
CID 130204719
4-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]pyrimidin-2-amine
CID 141147903
5-(4-chloro-3-methylphenyl)-2-(4-chlorophenyl)-1,3-thiazole
CID 670934
2-pyridin-4-yl-5-pyrimidin-4-yl-1,3-thiazole
CID 91664202
5-(2-aminopyrimidin-4-yl)-N-[2-(4-chlorophenyl)-4-hydroxybutyl]thiophene-2-carboxamide
CID 59856946
2-(4-chlorophenyl)-1,3-thiazole-5-carbothioamide
CID 82422528
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
4-(4-chloro-3-pyridinyl)pyrimidin-2-amine
CID 130049220
[5-(2-aminopyrimidin-4-yl)-2-(1H-imidazol-2-yl)thiophen-3-yl]-(4-chlorophenyl)methanol
CID 90320728

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 1476734) is 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is FXJZXBADVLMAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-9-3-1-8(2-4-9)12-17-7-11(19-12)10-5-6-16-13(15)18-10/h1-7H,(H2,15,16,18).
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 288.76 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 1476734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).