N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide

C18H22N2O3S — CID 138021047

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(c2ccccc2)C2(CO)CCOCC2)n1
InChIInChI=1S/C18H22N2O3S/c1-13-11-24-17(19-13)16(22)20-15(14-5-3-2-4-6-14)18(12-21)7-9-23-10-8-18/h2-6,11,15,21H,7-10,12H2,1H3,(H,20,22)
InChIKeyQOHZLPYKSKPTGC-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.71
Rot. Bonds5

About N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide

N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 138021047) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID138021047
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC(c2ccccc2)C2(CO)CCOCC2)n1
InChIInChI=1S/C18H22N2O3S/c1-13-11-24-17(19-13)16(22)20-15(14-5-3-2-4-6-14)18(12-21)7-9-23-10-8-18/h2-6,11,15,21H,7-10,12H2,1H3,(H,20,22)
InChIKeyQOHZLPYKSKPTGC-UHFFFAOYSA-N
XLogP2.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 136569803
[4-[(R)-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]-phenylmethyl]oxan-4-yl]methanol
CID 164642115
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
N-(2,6-dimethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696181
N-(4-methyl-1,3-thiazol-2-yl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243534
N-(2-ethylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696183
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
1-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)-3-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]urea
CID 167971877
N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696253
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 103954303
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide (CID 138021047) is N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC(c2ccccc2)C2(CO)CCOCC2)n1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is QOHZLPYKSKPTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-11-24-17(19-13)16(22)20-15(14-5-3-2-4-6-14)18(12-21)7-9-23-10-8-18/h2-6,11,15,21H,7-10,12H2,1H3,(H,20,22).
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide?
N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)oxan-4-yl]-phenylmethyl]-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 138021047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).