N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C16H18N6O2S2 — CID 11560195

IUPACN-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(S(=O)(=O)NC)c3)n2)s1
InChIInChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
InChIKeyYKEMTVGDNWRGJT-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 11560195) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID11560195
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC NameN-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCNc1nc(C)c(-c2ccnc(Nc3cccc(S(=O)(=O)NC)c3)n2)s1
InChIInChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22)
InChIKeyYKEMTVGDNWRGJT-UHFFFAOYSA-N
XLogP2.60
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

Dabrafenib
CID 44462760
4-(2-Amino-4-methyl-5-thiazolyl)-N-(3-nitrophenyl)-2-pyrimidinamine
CID 447961
Asnuciclib
CID 71561915
CDK Inhibitor, 6
CID 11595939
CDK Inhibitor, 3
CID 11675224
N-(4-(2,4-Dimethyl-thiazol-5-YL)-pyrimidin-2-YL)-N',N'-dimethyl-benzene-1,4-diamine
CID 447962
4-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzenesulfonamide
CID 3120504
2-Pyrimidinamine, 4-(2,4-dimethyl-5-thiazolyl)-N-phenyl-
CID 6539280
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 29
CID 6539295
2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 30
CID 6539296

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 11560195) is N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide is CNc1nc(C)c(-c2ccnc(Nc3cccc(S(=O)(=O)NC)c3)n2)s1.
What is the InChIKey of N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is YKEMTVGDNWRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-10-14(25-16(17-2)20-10)13-7-8-19-15(22-13)21-11-5-4-6-12(9-11)26(23,24)18-3/h4-9,18H,1-3H3,(H,17,20)(H,19,21,22).
What are the key properties of N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 11560195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).