2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide

C17H20N2O3S2 — CID 131898305

IUPAC2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2ccc(OCC3CCCCO3)cc2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-23-17-19-15(11-24-17)16(20)18-12-5-7-13(8-6-12)22-10-14-4-2-3-9-21-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyLSJOVTLQNQAHMR-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.07
Rot. Bonds6

About 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide

2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 131898305) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID131898305
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)Nc2ccc(OCC3CCCCO3)cc2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-23-17-19-15(11-24-17)16(20)18-12-5-7-13(8-6-12)22-10-14-4-2-3-9-21-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,18,20)
InChIKeyLSJOVTLQNQAHMR-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712742
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
6-oxo-N-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 60521562
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
1,6-dimethyl-N-[4-(oxan-2-ylmethoxy)phenyl]-2-oxopyridine-3-carboxamide
CID 131893315
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 131898305) is 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)Nc2ccc(OCC3CCCCO3)cc2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LSJOVTLQNQAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-23-17-19-15(11-24-17)16(20)18-12-5-7-13(8-6-12)22-10-14-4-2-3-9-21-14/h5-8,11,14H,2-4,9-10H2,1H3,(H,18,20).
What are the key properties of 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(oxan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131898305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).