N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide

C16H22N2O2S — CID 78915843

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide
SMILESCC(O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H22N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7-12,14,19H,2-6H2,1H3,(H,17,18,20)
InChIKeyTURNBMXUZJESRQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.21
Rot. Bonds3

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide (PubChem CID 78915843) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide
PubChem CID78915843
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide
SMILESCC(O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1
InChIInChI=1S/C16H22N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7-12,14,19H,2-6H2,1H3,(H,17,18,20)
InChIKeyTURNBMXUZJESRQ-UHFFFAOYSA-N
XLogP3.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 64545243
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127167
4-butyl-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 64542838
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-propan-2-yloxyacetamide
CID 112603240
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]heptanamide
CID 114753182
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 64545262
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
CID 103557205
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]urea
CID 64543045
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
CID 112735662
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64545259
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide (CID 78915843) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide is CC(O)c1csc(NC(=O)C2C3CC4CC(C3)CC2C4)n1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide?
The InChIKey is TURNBMXUZJESRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-8(19)13-7-21-16(17-13)18-15(20)14-11-3-9-2-10(5-11)6-12(14)4-9/h7-12,14,19H,2-6H2,1H3,(H,17,18,20).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]adamantane-2-carboxamide is sourced from PubChem (CID 78915843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).