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

C19H27N3O2S — CID 155494759

IUPACN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)s1
InChIInChI=1S/C19H27N3O2S/c1-11-17(25-12(2)21-11)18(23)20-7-14-15-9-22(8-13-3-4-13)10-19(15)6-5-16(14)24-19/h13-16H,3-10H2,1-2H3,(H,20,23)/t14-,15+,16+,19+/m0/s1
InChIKeyHTLLPLCJJIEFTN-WFXMFSGNSA-N
MW361.51 g/mol
LogP2.38
Rot. Bonds5

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

N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 155494759) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID155494759
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)s1
InChIInChI=1S/C19H27N3O2S/c1-11-17(25-12(2)21-11)18(23)20-7-14-15-9-22(8-13-3-4-13)10-19(15)6-5-16(14)24-19/h13-16H,3-10H2,1-2H3,(H,20,23)/t14-,15+,16+,19+/m0/s1
InChIKeyHTLLPLCJJIEFTN-WFXMFSGNSA-N
XLogP2.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 155494759) is N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H]2[C@H]3CN(CC4CC4)C[C@]34CC[C@H]2O4)s1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is HTLLPLCJJIEFTN-WFXMFSGNSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-11-17(25-12(2)21-11)18(23)20-7-14-15-9-22(8-13-3-4-13)10-19(15)6-5-16(14)24-19/h13-16H,3-10H2,1-2H3,(H,20,23)/t14-,15+,16+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[[(1S,5S,6R,7R)-3-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 2.38, 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-(cyclopropylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155494759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).