1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C20H25N7O3S — CID 122180522

IUPAC1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCOc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CCO)cn4)sc3C2)c1
InChIInChI=1S/C20H25N7O3S/c1-30-16-8-15(9-21-10-16)27-5-3-17-18(12-27)31-20(24-17)25-19(29)22-4-2-14-11-26(6-7-28)13-23-14/h8-11,13,28H,2-7,12H2,1H3,(H2,22,24,25,29)
InChIKeyWPGSHCKZFOLSEU-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.66
Rot. Bonds8

About 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 122180522) has the molecular formula C20H25N7O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID122180522
Molecular FormulaC20H25N7O3S
Molecular Weight443.53 g/mol
Exact Mass443.17
IUPAC Name1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCOc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CCO)cn4)sc3C2)c1
InChIInChI=1S/C20H25N7O3S/c1-30-16-8-15(9-21-10-16)27-5-3-17-18(12-27)31-20(24-17)25-19(29)22-4-2-14-11-26(6-7-28)13-23-14/h8-11,13,28H,2-7,12H2,1H3,(H2,22,24,25,29)
InChIKeyWPGSHCKZFOLSEU-UHFFFAOYSA-N
XLogP1.66
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 122180522) is 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(CCO)cn4)sc3C2)c1.
What is the InChIKey of 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is WPGSHCKZFOLSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S/c1-30-16-8-15(9-21-10-16)27-5-3-17-18(12-27)31-20(24-17)25-19(29)22-4-2-14-11-26(6-7-28)13-23-14/h8-11,13,28H,2-7,12H2,1H3,(H2,22,24,25,29).
What are the key properties of 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 443.53 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-hydroxyethyl)imidazol-4-yl]ethyl]-3-[5-(5-methoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 122180522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).