[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide

C16H17N5O3S2 — CID 67430239

IUPAC[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnc(CS(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C16H17N5O3S2/c1-10-5-11(13-8-19-15(25-13)9-26(17,22)23)7-12(6-10)20-16-18-4-3-14(21-16)24-2/h3-8H,9H2,1-2H3,(H2,17,22,23)(H,18,20,21)
InChIKeyHQWKSADPAMWVPY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.45
Rot. Bonds6

About [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide

[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 67430239) has the molecular formula C16H17N5O3S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID67430239
Molecular FormulaC16H17N5O3S2
Molecular Weight391.48 g/mol
Exact Mass391.08
IUPAC Name[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnc(CS(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C16H17N5O3S2/c1-10-5-11(13-8-19-15(25-13)9-26(17,22)23)7-12(6-10)20-16-18-4-3-14(21-16)24-2/h3-8H,9H2,1-2H3,(H2,17,22,23)(H,18,20,21)
InChIKeyHQWKSADPAMWVPY-UHFFFAOYSA-N
XLogP2.45
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide (CID 67430239) is [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide is COc1ccnc(Nc2cc(C)cc(-c3cnc(CS(N)(=O)=O)s3)c2)n1.
What is the InChIKey of [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is HQWKSADPAMWVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S2/c1-10-5-11(13-8-19-15(25-13)9-26(17,22)23)7-12(6-10)20-16-18-4-3-14(21-16)24-2/h3-8H,9H2,1-2H3,(H2,17,22,23)(H,18,20,21).
What are the key properties of [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide?
[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 391.48 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 67430239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).