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

C15H18N2O3S — CID 106102825

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H18N2O3S/c18-13(16-9-15(19)6-7-20-10-15)12-8-21-14(17-12)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,18)
InChIKeyTVPAPLOOYQRSMG-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.82
Rot. Bonds4

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

N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 106102825) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID106102825
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H18N2O3S/c18-13(16-9-15(19)6-7-20-10-15)12-8-21-14(17-12)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,18)
InChIKeyTVPAPLOOYQRSMG-UHFFFAOYSA-N
XLogP0.82
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
(4R)-N-[4-(hydroxymethyl)thian-4-yl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 126824514
1-benzhydryl-3-[[(3S)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129357143
methyl (4S)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 101227988
(3R)-N-[(3-hydroxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106101517
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
CID 154802149
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
1-[(1-benzylcyclopentyl)methyl]-3-[(3-hydroxyoxolan-3-yl)methyl]urea
CID 84597592
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-(2-methylphenyl)urea
CID 129397872
2-benzyl-1-[(3-hydroxyoxolan-3-yl)methyl]guanidine
CID 130164267
1-(1,3-benzothiazol-2-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]piperidine-4-carboxamide
CID 126770983
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 106102825) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(NCC1(O)CCOC1)C1CSC(c2ccccc2)=N1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is TVPAPLOOYQRSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-13(16-9-15(19)6-7-20-10-15)12-8-21-14(17-12)11-4-2-1-3-5-11/h1-5,12,19H,6-10H2,(H,16,18).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106102825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).