N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

C19H21N3O2S2 — CID 9343376

IUPACN-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESC[C@H](Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-14(15-7-5-4-6-8-15)20-19-21-18(13-25-19)16-9-11-17(12-10-16)22(2)26(3,23)24/h4-14H,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyXYBQXYMYHCGGLX-AWEZNQCLSA-N
MW387.53 g/mol
LogP4.38
Rot. Bonds6

About N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 9343376) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID9343376
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC NameN-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESC[C@H](Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)c1ccccc1
InChIInChI=1S/C19H21N3O2S2/c1-14(15-7-5-4-6-8-15)20-19-21-18(13-25-19)16-9-11-17(12-10-16)22(2)26(3,23)24/h4-14H,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyXYBQXYMYHCGGLX-AWEZNQCLSA-N
XLogP4.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-phenylethyl]-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2464196
N-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 2560713
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
4-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1,3-thiazol-2-amine
CID 4969311
4-(4-fluorophenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-1,3-thiazol-2-amine
CID 133370788
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 31263059
N-[(2R)-4-[4-[2-[[(1R)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750342
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 133260926
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42887046

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 9343376) is N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is C[C@H](Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1)c1ccccc1.
What is the InChIKey of N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is XYBQXYMYHCGGLX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-14(15-7-5-4-6-8-15)20-19-21-18(13-25-19)16-9-11-17(12-10-16)22(2)26(3,23)24/h4-14H,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 9343376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).