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

C16H18N6O2S2 — CID 11567302

IUPACN-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide
SMILESCc1nc(N)sc1-c1ccnc(Nc2cccc(CNS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H18N6O2S2/c1-10-14(25-15(17)20-10)13-6-7-18-16(22-13)21-12-5-3-4-11(8-12)9-19-26(2,23)24/h3-8,19H,9H2,1-2H3,(H2,17,20)(H,18,21,22)
InChIKeyKDRXPXTYLVINKS-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.28
Rot. Bonds6

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

N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide (PubChem CID 11567302) has the molecular formula C16H18N6O2S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide
PubChem CID11567302
Molecular FormulaC16H18N6O2S2
Molecular Weight390.49 g/mol
Exact Mass390.09
IUPAC NameN-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide
SMILESCc1nc(N)sc1-c1ccnc(Nc2cccc(CNS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H18N6O2S2/c1-10-14(25-15(17)20-10)13-6-7-18-16(22-13)21-12-5-3-4-11(8-12)9-19-26(2,23)24/h3-8,19H,9H2,1-2H3,(H2,17,20)(H,18,21,22)
InChIKeyKDRXPXTYLVINKS-UHFFFAOYSA-N
XLogP2.28
TPSA122.89 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 ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

CID 89370521
CID 89370521
5-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]-N-ethyl-4-methyl-1,3-thiazol-2-amine
CID 11724828
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155315773
4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
CID 71205367
3-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174526213
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
N-[2-[3-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethyl]acetamide
CID 175251030
3-amino-N-[4-methyl-5-[2-(3-nitrosoanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]propanamide
CID 88968849
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
3-[[4-(3,4-dimethyl-2-oxo-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-(2-phenylethyl)benzenesulfonamide
CID 174512129
3-[[4-(2-amino-4-cyclopropyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 154070317

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide (CID 11567302) is N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide is Cc1nc(N)sc1-c1ccnc(Nc2cccc(CNS(C)(=O)=O)c2)n1.
What is the InChIKey of N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide?
The InChIKey is KDRXPXTYLVINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S2/c1-10-14(25-15(17)20-10)13-6-7-18-16(22-13)21-12-5-3-4-11(8-12)9-19-26(2,23)24/h3-8,19H,9H2,1-2H3,(H2,17,20)(H,18,21,22).
What are the key properties of N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide?
N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide has a molecular weight of 390.49 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 11567302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).