N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide

C18H19N3O3S2 — CID 9343584

IUPACN-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
SMILESCOc1ccccc1Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C18H19N3O3S2/c1-21(26(3,22)23)14-10-8-13(9-11-14)16-12-25-18(20-16)19-15-6-4-5-7-17(15)24-2/h4-12H,1-3H3,(H,19,20)
InChIKeyUPNPSDULNLJWNB-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.96
Rot. Bonds6

About N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide

N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide (PubChem CID 9343584) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
PubChem CID9343584
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
SMILESCOc1ccccc1Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C18H19N3O3S2/c1-21(26(3,22)23)14-10-8-13(9-11-14)16-12-25-18(20-16)19-15-6-4-5-7-17(15)24-2/h4-12H,1-3H3,(H,19,20)
InChIKeyUPNPSDULNLJWNB-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2303545
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
N-methyl-N-[4-[2-[[(1S)-1-phenylethyl]amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9343376
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
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
2-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 2839813
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
6-methoxy-N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 24586544
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide
CID 16962930
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide (CID 9343584) is N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide is COc1ccccc1Nc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1.
What is the InChIKey of N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is UPNPSDULNLJWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-21(26(3,22)23)14-10-8-13(9-11-14)16-12-25-18(20-16)19-15-6-4-5-7-17(15)24-2/h4-12H,1-3H3,(H,19,20).
What are the key properties of N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide?
N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 9343584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).