N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C16H18N4O5S2 — CID 86621997

IUPACN-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(=O)N3C[C@@H]4O[C@@H](CO)[C@H](C3)O4)n2)s1
InChIInChI=1S/C16H18N4O5S2/c1-7-13(27-16(17-7)18-8(2)22)9-6-26-14(19-9)15(23)20-3-10-11(5-21)25-12(4-20)24-10/h6,10-12,21H,3-5H2,1-2H3,(H,17,18,22)/t10-,11-,12-/m0/s1
InChIKeyGGKBSEOZJLEFDM-SRVKXCTJSA-N
MW410.48 g/mol
LogP1.09
Rot. Bonds4

About N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 86621997) has the molecular formula C16H18N4O5S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID86621997
Molecular FormulaC16H18N4O5S2
Molecular Weight410.48 g/mol
Exact Mass410.07
IUPAC NameN-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C(=O)N3C[C@@H]4O[C@@H](CO)[C@H](C3)O4)n2)s1
InChIInChI=1S/C16H18N4O5S2/c1-7-13(27-16(17-7)18-8(2)22)9-6-26-14(19-9)15(23)20-3-10-11(5-21)25-12(4-20)24-10/h6,10-12,21H,3-5H2,1-2H3,(H,17,18,22)/t10-,11-,12-/m0/s1
InChIKeyGGKBSEOZJLEFDM-SRVKXCTJSA-N
XLogP1.09
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
CID 11989642
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
N-[4-methyl-5-[2-(morpholine-4-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imidazole-1-carboxamide
CID 59465567
4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid
CID 11989643
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
CID 3341375
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-thiazole-2-carboximidate
CID 59465543
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium bromide
CID 18527007
N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 86649582
N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 91472583

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 86621997) is N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(C(=O)N3C[C@@H]4O[C@@H](CO)[C@H](C3)O4)n2)s1.
What is the InChIKey of N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GGKBSEOZJLEFDM-SRVKXCTJSA-N. The full InChI is InChI=1S/C16H18N4O5S2/c1-7-13(27-16(17-7)18-8(2)22)9-6-26-14(19-9)15(23)20-3-10-11(5-21)25-12(4-20)24-10/h6,10-12,21H,3-5H2,1-2H3,(H,17,18,22)/t10-,11-,12-/m0/s1.
What are the key properties of N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 410.48 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(1S,5S,7S)-7-(hydroxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-3-carbonyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86621997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).