1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C19H22Cl2N4OS — CID 90529591

About 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529591) has the molecular formula C19H22Cl2N4OS and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529591
• Molecular Formula: C19H22Cl2N4OS
• Molecular Weight: 425.39 g/mol
• Exact Mass: 424.09
• IUPAC Name: 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: O=C(Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1Cl)CC2)NC1CCCC1
• InChI: InChI=1S/C19H22Cl2N4OS/c20-13-6-5-12(15(21)9-13)10-25-8-7-16-17(11-25)27-19(23-16)24-18(26)22-14-3-1-2-4-14/h5-6,9,14H,1-4,7-8,10-11H2,(H2,22,23,24,26)
• InChIKey: BVGJCNKIIVSHBN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.39
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The IUPAC name of 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529591) is 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

What is the SMILES notation for 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is O=C(Nc1nc2c(s1)CN(Cc1ccc(Cl)cc1Cl)CC2)NC1CCCC1.

What is the InChIKey of 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The InChIKey is BVGJCNKIIVSHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4OS/c20-13-6-5-12(15(21)9-13)10-25-8-7-16-17(11-25)27-19(23-16)24-18(26)22-14-3-1-2-4-14/h5-6,9,14H,1-4,7-8,10-11H2,(H2,22,23,24,26).

What are the key properties of 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 425.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-[(2,4-dichlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).