N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide

C16H25N5OS — CID 91841216

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide
SMILESCN1[C@H]2CC[C@@H]1CN(CCC(=O)Nc1nnc(C3CC3)s1)CC2
InChIInChI=1S/C16H25N5OS/c1-20-12-4-5-13(20)10-21(8-6-12)9-7-14(22)17-16-19-18-15(23-16)11-2-3-11/h11-13H,2-10H2,1H3,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyYCGYPEGIEHMSBE-QWHCGFSZSA-N
MW335.48 g/mol
LogP1.91
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide (PubChem CID 91841216) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide
PubChem CID91841216
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide
SMILESCN1[C@H]2CC[C@@H]1CN(CCC(=O)Nc1nnc(C3CC3)s1)CC2
InChIInChI=1S/C16H25N5OS/c1-20-12-4-5-13(20)10-21(8-6-12)9-7-14(22)17-16-19-18-15(23-16)11-2-3-11/h11-13H,2-10H2,1H3,(H,17,19,22)/t12-,13+/m0/s1
InChIKeyYCGYPEGIEHMSBE-QWHCGFSZSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide (CID 91841216) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide is CN1[C@H]2CC[C@@H]1CN(CCC(=O)Nc1nnc(C3CC3)s1)CC2.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide?
The InChIKey is YCGYPEGIEHMSBE-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-20-12-4-5-13(20)10-21(8-6-12)9-7-14(22)17-16-19-18-15(23-16)11-2-3-11/h11-13H,2-10H2,1H3,(H,17,19,22)/t12-,13+/m0/s1.
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide has a molecular weight of 335.48 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]propanamide is sourced from PubChem (CID 91841216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).