N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C22H19Cl2N5S — CID 54765909

IUPACN-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nccc(-c3sc(N(C)c4ccc(Cl)c(Cl)c4)nc3C)n2)c1
InChIInChI=1S/C22H19Cl2N5S/c1-13-5-4-6-15(11-13)27-21-25-10-9-19(28-21)20-14(2)26-22(30-20)29(3)16-7-8-17(23)18(24)12-16/h4-12H,1-3H3,(H,25,27,28)
InChIKeyQGKAFCQATRMACE-UHFFFAOYSA-N
MW456.40 g/mol
LogP7.04
Rot. Bonds5

About N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine

N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 54765909) has the molecular formula C22H19Cl2N5S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID54765909
Molecular FormulaC22H19Cl2N5S
Molecular Weight456.40 g/mol
Exact Mass455.07
IUPAC NameN-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nccc(-c3sc(N(C)c4ccc(Cl)c(Cl)c4)nc3C)n2)c1
InChIInChI=1S/C22H19Cl2N5S/c1-13-5-4-6-15(11-13)27-21-25-10-9-19(28-21)20-14(2)26-22(30-20)29(3)16-7-8-17(23)18(24)12-16/h4-12H,1-3H3,(H,25,27,28)
InChIKeyQGKAFCQATRMACE-UHFFFAOYSA-N
XLogP7.04
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 6539282
N-(4-chlorophenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 6539283
2-Chloro-N~4~-[4-(2,4-Dimethyl-1,3-Thiazol-5-Yl)pyrimidin-2-Yl]-N~1~,N~1~-Dimethylbenzene-1,4-Diamine
CID 6539303
N1-(4-(2-chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-yl)-N2,N2-dimethylethane-1,2-diamine
CID 52949671
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059
(3-Aminomethyl-phenyl)-[4-(2-ethylamino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 11724828
N-(4-chlorophenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704584
5-(6-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52941551
5-(2-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942573
5-(6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl)-N-isopropylthiazol-2-amine
CID 52942781
5-(2-amino-6-(2-chlorophenyl)pyrimidin-4-yl)-N-isopropylthiazol-2-amine
CID 52943970
N-(3,5-dichlorophenyl)-2-[4-(2-phenylthiazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide
CID 2744814

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 54765909) is N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nccc(-c3sc(N(C)c4ccc(Cl)c(Cl)c4)nc3C)n2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is QGKAFCQATRMACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5S/c1-13-5-4-6-15(11-13)27-21-25-10-9-19(28-21)20-14(2)26-22(30-20)29(3)16-7-8-17(23)18(24)12-16/h4-12H,1-3H3,(H,25,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 456.40 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N,4-dimethyl-5-[2-(3-methylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54765909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).