N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide

C17H24N2O3S2 — CID 129344834

IUPACN-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
SMILESO=C(C[C@H]1CCCS(=O)(=O)C1)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1
InChIInChI=1S/C17H24N2O3S2/c20-16(8-12-2-1-5-24(21,22)10-12)19-17-18-15(9-23-17)14-7-11-3-4-13(14)6-11/h9,11-14H,1-8,10H2,(H,18,19,20)/t11-,12+,13-,14+/m0/s1
InChIKeyLOHKNPWHNIQLIG-RFQIPJPRSA-N
MW368.52 g/mol
LogP3.20
Rot. Bonds4

About N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide

N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide (PubChem CID 129344834) has the molecular formula C17H24N2O3S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
PubChem CID129344834
Molecular FormulaC17H24N2O3S2
Molecular Weight368.52 g/mol
Exact Mass368.12
IUPAC NameN-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide
SMILESO=C(C[C@H]1CCCS(=O)(=O)C1)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1
InChIInChI=1S/C17H24N2O3S2/c20-16(8-12-2-1-5-24(21,22)10-12)19-17-18-15(9-23-17)14-7-11-3-4-13(14)6-11/h9,11-14H,1-8,10H2,(H,18,19,20)/t11-,12+,13-,14+/m0/s1
InChIKeyLOHKNPWHNIQLIG-RFQIPJPRSA-N
XLogP3.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide with MolForge

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Related Compounds

N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 125138603
N-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122145804
3-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]-1,1-bis(2-hydroxyethyl)urea
CID 122150546
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
CID 138994800
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9049138
2-(1,1-dioxothiolan-3-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 5053215
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9046754
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 11919388
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 18556899
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide?
The IUPAC name of N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide (CID 129344834) is N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide.
What is the SMILES notation for N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide?
The canonical SMILES for N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide is O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1nc([C@@H]2C[C@H]3CC[C@H]2C3)cs1.
What is the InChIKey of N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide?
The InChIKey is LOHKNPWHNIQLIG-RFQIPJPRSA-N. The full InChI is InChI=1S/C17H24N2O3S2/c20-16(8-12-2-1-5-24(21,22)10-12)19-17-18-15(9-23-17)14-7-11-3-4-13(14)6-11/h9,11-14H,1-8,10H2,(H,18,19,20)/t11-,12+,13-,14+/m0/s1.
What are the key properties of N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide?
N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide has a molecular weight of 368.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1,3-thiazol-2-yl]-2-[(3R)-1,1-dioxothian-3-yl]acetamide is sourced from PubChem (CID 129344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).