N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide

C20H29N3O2S — CID 154822164

IUPACN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1nc(CN2C[C@@H]3[C@H](CNC(=O)C4(C)CC4)[C@H]4CC[C@]3(C2)O4)sc1C
InChIInChI=1S/C20H29N3O2S/c1-12-13(2)26-17(22-12)10-23-9-15-14(8-21-18(24)19(3)6-7-19)16-4-5-20(15,11-23)25-16/h14-16H,4-11H2,1-3H3,(H,21,24)/t14-,15+,16+,20+/m0/s1
InChIKeyMUAMVHYZYJBSRM-QCBUCWTNSA-N
MW375.54 g/mol
LogP2.66
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 154822164) has the molecular formula C20H29N3O2S and a molecular weight of 375.54 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID154822164
Molecular FormulaC20H29N3O2S
Molecular Weight375.54 g/mol
Exact Mass375.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1nc(CN2C[C@@H]3[C@H](CNC(=O)C4(C)CC4)[C@H]4CC[C@]3(C2)O4)sc1C
InChIInChI=1S/C20H29N3O2S/c1-12-13(2)26-17(22-12)10-23-9-15-14(8-21-18(24)19(3)6-7-19)16-4-5-20(15,11-23)25-16/h14-16H,4-11H2,1-3H3,(H,21,24)/t14-,15+,16+,20+/m0/s1
InChIKeyMUAMVHYZYJBSRM-QCBUCWTNSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 154822164) is N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide is Cc1nc(CN2C[C@@H]3[C@H](CNC(=O)C4(C)CC4)[C@H]4CC[C@]3(C2)O4)sc1C.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is MUAMVHYZYJBSRM-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H29N3O2S/c1-12-13(2)26-17(22-12)10-23-9-15-14(8-21-18(24)19(3)6-7-19)16-4-5-20(15,11-23)25-16/h14-16H,4-11H2,1-3H3,(H,21,24)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 154822164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).