2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C18H16N4S2 — CID 99802723

IUPAC2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2cncs2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H16N4S2/c1-11(15-8-19-10-24-15)20-17-16-14(13-6-4-3-5-7-13)9-23-18(16)22-12(2)21-17/h3-11H,1-2H3,(H,20,21,22)/t11-/m0/s1
InChIKeyIKIICWJWNDIORT-NSHDSACASA-N
MW352.49 g/mol
LogP5.30
Rot. Bonds4

About 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 99802723) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID99802723
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N[C@@H](C)c2cncs2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H16N4S2/c1-11(15-8-19-10-24-15)20-17-16-14(13-6-4-3-5-7-13)9-23-18(16)22-12(2)21-17/h3-11H,1-2H3,(H,20,21,22)/t11-/m0/s1
InChIKeyIKIICWJWNDIORT-NSHDSACASA-N
XLogP5.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

(1R)-2-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-1-phenylethanol
CID 9311855
3-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 115916459
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
(2R)-1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]butan-2-ol
CID 97246173
1-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 75422132
2-methyl-3-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
CID 47091029
2-(methoxymethyl)-5-phenyl-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 97253810
2-[[2-[(dimethylamino)methyl]-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 122058325
4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine;(2R)-2-methylpiperazine
CID 158753076
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
2-methyl-5-phenyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidine
CID 40710056
5-[[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]thiophene-2-sulfinamide
CID 156555279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 99802723) is 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1nc(N[C@@H](C)c2cncs2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IKIICWJWNDIORT-NSHDSACASA-N. The full InChI is InChI=1S/C18H16N4S2/c1-11(15-8-19-10-24-15)20-17-16-14(13-6-4-3-5-7-13)9-23-18(16)22-12(2)21-17/h3-11H,1-2H3,(H,20,21,22)/t11-/m0/s1.
What are the key properties of 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 352.49 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 99802723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).