1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea

C19H17Cl2N5OS2 — CID 70902257

IUPAC1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESO=C(NC1=NCC(CCNc2c(Cl)cnc3ccsc23)S1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2N5OS2/c20-11-2-1-3-12(8-11)25-18(27)26-19-24-9-13(29-19)4-6-22-16-14(21)10-23-15-5-7-28-17(15)16/h1-3,5,7-8,10,13H,4,6,9H2,(H,22,23)(H2,24,25,26,27)
InChIKeyGCGIFTQNTMAIDP-UHFFFAOYSA-N
MW466.42 g/mol
LogP5.70
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea

1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea (PubChem CID 70902257) has the molecular formula C19H17Cl2N5OS2 and a molecular weight of 466.42 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea
PubChem CID70902257
Molecular FormulaC19H17Cl2N5OS2
Molecular Weight466.42 g/mol
Exact Mass465.03
IUPAC Name1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea
SMILESO=C(NC1=NCC(CCNc2c(Cl)cnc3ccsc23)S1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H17Cl2N5OS2/c20-11-2-1-3-12(8-11)25-18(27)26-19-24-9-13(29-19)4-6-22-16-14(21)10-23-15-5-7-28-17(15)16/h1-3,5,7-8,10,13H,4,6,9H2,(H,22,23)(H2,24,25,26,27)
InChIKeyGCGIFTQNTMAIDP-UHFFFAOYSA-N
XLogP5.70
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.42
LogP ≤ 55.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea (CID 70902257) is 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea is O=C(NC1=NCC(CCNc2c(Cl)cnc3ccsc23)S1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea?
The InChIKey is GCGIFTQNTMAIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5OS2/c20-11-2-1-3-12(8-11)25-18(27)26-19-24-9-13(29-19)4-6-22-16-14(21)10-23-15-5-7-28-17(15)16/h1-3,5,7-8,10,13H,4,6,9H2,(H,22,23)(H2,24,25,26,27).
What are the key properties of 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea has a molecular weight of 466.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-[2-[(6-chlorothieno[3,2-b]pyridin-7-yl)amino]ethyl]-4,5-dihydro-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 70902257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).