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

C16H21N3O3S2 — CID 154845848

IUPACN-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCC1CC(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1
InChIInChI=1S/C16H21N3O3S2/c1-11-9-14(7-8-22-11)17-16-18-15(10-23-16)12-3-5-13(6-4-12)19-24(2,20)21/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,18)
InChIKeyCVOZZWQTOSTRQM-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.16
Rot. Bonds5

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

N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (PubChem CID 154845848) has the molecular formula C16H21N3O3S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
PubChem CID154845848
Molecular FormulaC16H21N3O3S2
Molecular Weight367.50 g/mol
Exact Mass367.10
IUPAC NameN-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
SMILESCC1CC(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1
InChIInChI=1S/C16H21N3O3S2/c1-11-9-14(7-8-22-11)17-16-18-15(10-23-16)12-3-5-13(6-4-12)19-24(2,20)21/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,18)
InChIKeyCVOZZWQTOSTRQM-UHFFFAOYSA-N
XLogP3.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
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4-phenyl-N-(2-phenyloxan-4-yl)-1,3-thiazol-2-amine
CID 133474166
N-[4-[2-[(3-methyl-1-bicyclo[1.1.1]pentanyl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166410275
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]methanesulfonamide
CID 110504077
3-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119694456
N-[4-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166189059
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
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N-[4-[2-[(1-methylpyrazol-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 166180802
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 3254844
2-(2-bicyclo[2.2.1]heptanyl)-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
CID 18127329
2-[(1S)-cyclopent-2-en-1-yl]-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide (CID 154845848) is N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is CC1CC(Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)CCO1.
What is the InChIKey of N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
The InChIKey is CVOZZWQTOSTRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S2/c1-11-9-14(7-8-22-11)17-16-18-15(10-23-16)12-3-5-13(6-4-12)19-24(2,20)21/h3-6,10-11,14,19H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide?
N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide has a molecular weight of 367.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-methyloxan-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 154845848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).