N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide

C19H20N2O2S2 — CID 125444057

IUPACN-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(-c2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C19H20N2O2S2/c1-12(10-23-3)20-19(22)15-6-4-5-14(9-15)17-7-8-18(25-17)16-11-24-13(2)21-16/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyLSJUBDXKADDPGP-LBPRGKRZSA-N
MW372.52 g/mol
LogP4.61
Rot. Bonds6

About N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide

N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide (PubChem CID 125444057) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
PubChem CID125444057
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide
SMILESCOC[C@H](C)NC(=O)c1cccc(-c2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C19H20N2O2S2/c1-12(10-23-3)20-19(22)15-6-4-5-14(9-15)17-7-8-18(25-17)16-11-24-13(2)21-16/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t12-/m0/s1
InChIKeyLSJUBDXKADDPGP-LBPRGKRZSA-N
XLogP4.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 99812786
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940413
formic acid;N-(1-methoxypropan-2-yl)-3-(5-propylpyrimidin-2-yl)benzamide
CID 171339155
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 120702327
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide (CID 125444057) is N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide is COC[C@H](C)NC(=O)c1cccc(-c2ccc(-c3csc(C)n3)s2)c1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide?
The InChIKey is LSJUBDXKADDPGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-12(10-23-3)20-19(22)15-6-4-5-14(9-15)17-7-8-18(25-17)16-11-24-13(2)21-16/h4-9,11-12H,10H2,1-3H3,(H,20,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide?
N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide has a molecular weight of 372.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]benzamide is sourced from PubChem (CID 125444057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).