N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

C20H21N3O2S — CID 8750419

IUPACN-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOC[C@H](C)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H21N3O2S/c1-14(12-25-2)21-20-23-18(13-26-20)15-8-10-17(11-9-15)22-19(24)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyVUPBBSIHNXVPCZ-AWEZNQCLSA-N
MW367.47 g/mol
LogP4.51
Rot. Bonds7

About N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 8750419) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID8750419
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCOC[C@H](C)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C20H21N3O2S/c1-14(12-25-2)21-20-23-18(13-26-20)15-8-10-17(11-9-15)22-19(24)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyVUPBBSIHNXVPCZ-AWEZNQCLSA-N
XLogP4.51
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 8962073
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 8750419) is N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is COC[C@H](C)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is VUPBBSIHNXVPCZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14(12-25-2)21-20-23-18(13-26-20)15-8-10-17(11-9-15)22-19(24)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 367.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 8750419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).