1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one

C24H34N4OS2 — CID 159431458

IUPAC1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCc1ncc(CC(=O)CC2CCC(CCN3CCc4sc(NC5CC5)nc4C3)CC2)s1
InChIInChI=1S/C24H34N4OS2/c1-16-25-14-21(30-16)13-20(29)12-18-4-2-17(3-5-18)8-10-28-11-9-23-22(15-28)27-24(31-23)26-19-6-7-19/h14,17-19H,2-13,15H2,1H3,(H,26,27)
InChIKeyLRANUWRSNKZPKN-UHFFFAOYSA-N
MW458.70 g/mol
LogP5.24
Rot. Bonds9

About 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one

1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one (PubChem CID 159431458) has the molecular formula C24H34N4OS2 and a molecular weight of 458.70 g/mol. Its IUPAC name is 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
PubChem CID159431458
Molecular FormulaC24H34N4OS2
Molecular Weight458.70 g/mol
Exact Mass458.22
IUPAC Name1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCc1ncc(CC(=O)CC2CCC(CCN3CCc4sc(NC5CC5)nc4C3)CC2)s1
InChIInChI=1S/C24H34N4OS2/c1-16-25-14-21(30-16)13-20(29)12-18-4-2-17(3-5-18)8-10-28-11-9-23-22(15-28)27-24(31-23)26-19-6-7-19/h14,17-19H,2-13,15H2,1H3,(H,26,27)
InChIKeyLRANUWRSNKZPKN-UHFFFAOYSA-N
XLogP5.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.70
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one (CID 159431458) is 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one is Cc1ncc(CC(=O)CC2CCC(CCN3CCc4sc(NC5CC5)nc4C3)CC2)s1.
What is the InChIKey of 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
The InChIKey is LRANUWRSNKZPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS2/c1-16-25-14-21(30-16)13-20(29)12-18-4-2-17(3-5-18)8-10-28-11-9-23-22(15-28)27-24(31-23)26-19-6-7-19/h14,17-19H,2-13,15H2,1H3,(H,26,27).
What are the key properties of 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one?
1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one has a molecular weight of 458.70 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(cyclopropylamino)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]ethyl]cyclohexyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 159431458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).