N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

C16H18N2O3S — CID 4527908

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)c2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C16H18N2O3S/c1-11-9-17-16(22-11)18-15(19)12-4-6-13(7-5-12)21-10-14-3-2-8-20-14/h4-7,9,14H,2-3,8,10H2,1H3,(H,17,18,19)
InChIKeyUSXIPBGGMWLVAU-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.26
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide

N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 4527908) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID4527908
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)c2ccc(OCC3CCCO3)cc2)s1
InChIInChI=1S/C16H18N2O3S/c1-11-9-17-16(22-11)18-15(19)12-4-6-13(7-5-12)21-10-14-3-2-8-20-14/h4-7,9,14H,2-3,8,10H2,1H3,(H,17,18,19)
InChIKeyUSXIPBGGMWLVAU-UHFFFAOYSA-N
XLogP3.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-Methoxyphenyl)carbonylamino]-1,3-Thiazol-5-Yl]benzoic Acid
CID 57342036
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270685
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(5-(3,5-bis(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272403
4-(1,3-Thiazol-5-ylmethoxy)benzamide
CID 142600514
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 8195301
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
3-ethoxy-N-(2-thiazolyl)benzamide
CID 792393
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 44250031

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide (CID 4527908) is N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1cnc(NC(=O)c2ccc(OCC3CCCO3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is USXIPBGGMWLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-9-17-16(22-11)18-15(19)12-4-6-13(7-5-12)21-10-14-3-2-8-20-14/h4-7,9,14H,2-3,8,10H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 318.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 4527908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).