4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

C19H17Cl2N5OS — CID 145104213

IUPAC4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c(Cl)c1
InChIInChI=1S/C19H17Cl2N5OS/c20-13-5-4-12(15(21)9-13)10-27-17-14(3-1-6-22-17)16-11-28-19(25-16)26-18-23-7-2-8-24-18/h1,3-6,9,11H,2,7-8,10H2,(H2,23,24,25,26)
InChIKeyVBEDAZSJFUXCJN-UHFFFAOYSA-N
MW434.35 g/mol
LogP4.85
Rot. Bonds5

About 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine

4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 145104213) has the molecular formula C19H17Cl2N5OS and a molecular weight of 434.35 g/mol. Its IUPAC name is 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID145104213
Molecular FormulaC19H17Cl2N5OS
Molecular Weight434.35 g/mol
Exact Mass433.05
IUPAC Name4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESClc1ccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c(Cl)c1
InChIInChI=1S/C19H17Cl2N5OS/c20-13-5-4-12(15(21)9-13)10-27-17-14(3-1-6-22-17)16-11-28-19(25-16)26-18-23-7-2-8-24-18/h1,3-6,9,11H,2,7-8,10H2,(H2,23,24,25,26)
InChIKeyVBEDAZSJFUXCJN-UHFFFAOYSA-N
XLogP4.85
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104641
4-[2-[4-chloro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104564
4-[2-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]oxy-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104184
4-[3-(4-chlorophenoxy)pyrazin-2-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104117
4-(2-chloro-4-pyridinyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104006
2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]phenol
CID 145104911
4-(4-methylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104897
4-[6-(2,5-difluorophenyl)-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104153
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
CID 171109534
4-[2-[[3-[(6-methyl-3-pyridinyl)methoxy]phenyl]methoxy]-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145105183
4-[6-[methyl(1,3-thiazol-4-ylmethyl)amino]-2-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104831

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine (CID 145104213) is 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is Clc1ccc(COc2ncccc2-c2csc(NC3=NCCCN3)n2)c(Cl)c1.
What is the InChIKey of 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VBEDAZSJFUXCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5OS/c20-13-5-4-12(15(21)9-13)10-27-17-14(3-1-6-22-17)16-11-28-19(25-16)26-18-23-7-2-8-24-18/h1,3-6,9,11H,2,7-8,10H2,(H2,23,24,25,26).
What are the key properties of 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 434.35 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,4-dichlorophenyl)methoxy]-3-pyridinyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 145104213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).