N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C18H22N2O3S — CID 110310238

IUPACN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-13-15(24-17(20-13)14-5-3-2-4-6-14)16(22)19-11-18(12-21)7-9-23-10-8-18/h2-6,21H,7-12H2,1H3,(H,19,22)
InChIKeyWARCHMWWOCAFRV-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 110310238) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID110310238
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-13-15(24-17(20-13)14-5-3-2-4-6-14)16(22)19-11-18(12-21)7-9-23-10-8-18/h2-6,21H,7-12H2,1H3,(H,19,22)
InChIKeyWARCHMWWOCAFRV-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 110310238) is N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)NCC1(CO)CCOCC1.
What is the InChIKey of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WARCHMWWOCAFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-15(24-17(20-13)14-5-3-2-4-6-14)16(22)19-11-18(12-21)7-9-23-10-8-18/h2-6,21H,7-12H2,1H3,(H,19,22).
What are the key properties of N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.64, 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]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110310238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).