N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

C14H18N2OS — CID 585608

IUPACN-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1nccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16,17)
InChIKeySENHUAQKRFCQIJ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.30
Rot. Bonds2

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

N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 585608) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID585608
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1nccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H18N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16,17)
InChIKeySENHUAQKRFCQIJ-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003031
2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
N,N'-di-1,3-thiazol-2-yl-1,3-adamantanedicarboxamide
CID 2882964
Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 18138918
N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3121269
1-(1-Adamantyl)-3-thiazol-2-yl-urea
CID 4686891
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 1246597
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
Cambridge id 6046138
CID 2882356
Bicyclo[4.1.0]heptane-7-carboxamide, N-(2-thiazolyl)-
CID 579214

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 585608) is N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is O=C(Nc1nccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is SENHUAQKRFCQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-12(16-13-15-1-2-18-13)14-6-9-3-10(7-14)5-11(4-9)8-14/h1-2,9-11H,3-8H2,(H,15,16,17).
What are the key properties of N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 585608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).