1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide

C18H20N4O2S2 — CID 2882964

IUPAC1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C18H20N4O2S2/c23-13(21-15-19-1-3-25-15)17-6-11-5-12(7-17)9-18(8-11,10-17)14(24)22-16-20-2-4-26-16/h1-4,11-12H,5-10H2,(H,19,21,23)(H,20,22,24)
InChIKeyVWQLMPMUQRKLKE-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.76
Rot. Bonds4

About 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide

1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide (PubChem CID 2882964) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide
PubChem CID2882964
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide
SMILESO=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C18H20N4O2S2/c23-13(21-15-19-1-3-25-15)17-6-11-5-12(7-17)9-18(8-11,10-17)14(24)22-16-20-2-4-26-16/h1-4,11-12H,5-10H2,(H,19,21,23)(H,20,22,24)
InChIKeyVWQLMPMUQRKLKE-UHFFFAOYSA-N
XLogP3.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 4356652
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 585608
Cambridge id 6046138
CID 2882356
Cambridge id 5523020
CID 2741141
2-(2-adamantanylacetylamino)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 2945714
3,5,7-trimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 4142732
9-oxo-N-(1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 5067003
2-[1-[2-(dimethylamino)-2-oxoethyl]cyclohexyl]-N-(1,3-thiazol-2-yl)acetamide
CID 53547695
N-(5-fluoro-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 85472607
N,N'-di(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 2236546
1-(1-adamantyl)-N,N'-bis(1,3-thiazol-2-yl)methanediamine
CID 331244

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide (CID 2882964) is 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide is O=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2.
What is the InChIKey of 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide?
The InChIKey is VWQLMPMUQRKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-13(21-15-19-1-3-25-15)17-6-11-5-12(7-17)9-18(8-11,10-17)14(24)22-16-20-2-4-26-16/h1-4,11-12H,5-10H2,(H,19,21,23)(H,20,22,24).
What are the key properties of 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide?
1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(1,3-thiazol-2-yl)adamantane-1,3-dicarboxamide is sourced from PubChem (CID 2882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).