(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide

C23H27FN8O4S — CID 118970482

IUPAC(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide
SMILESCc1cc(Cn2c(=O)c(CN[C@@H](C)C(=O)NC3=CSC(c4cnc(C)c(F)c4)N3)c(N)n(C)c2=O)no1
InChIInChI=1S/C23H27FN8O4S/c1-11-5-15(30-36-11)9-32-22(34)16(19(25)31(4)23(32)35)8-27-13(3)20(33)28-18-10-37-21(29-18)14-6-17(24)12(2)26-7-14/h5-7,10,13,21,27,29H,8-9,25H2,1-4H3,(H,28,33)/t13-,21?/m0/s1
InChIKeyWKWHEVUQYQNYIN-JRTLGTJJSA-N
MW530.59 g/mol
LogP0.74
Rot. Bonds8

About (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide

(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide (PubChem CID 118970482) has the molecular formula C23H27FN8O4S and a molecular weight of 530.59 g/mol. Its IUPAC name is (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide
PubChem CID118970482
Molecular FormulaC23H27FN8O4S
Molecular Weight530.59 g/mol
Exact Mass530.19
IUPAC Name(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide
SMILESCc1cc(Cn2c(=O)c(CN[C@@H](C)C(=O)NC3=CSC(c4cnc(C)c(F)c4)N3)c(N)n(C)c2=O)no1
InChIInChI=1S/C23H27FN8O4S/c1-11-5-15(30-36-11)9-32-22(34)16(19(25)31(4)23(32)35)8-27-13(3)20(33)28-18-10-37-21(29-18)14-6-17(24)12(2)26-7-14/h5-7,10,13,21,27,29H,8-9,25H2,1-4H3,(H,28,33)/t13-,21?/m0/s1
InChIKeyWKWHEVUQYQNYIN-JRTLGTJJSA-N
XLogP0.74
TPSA162.10 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide?
The IUPAC name of (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide (CID 118970482) is (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide is Cc1cc(Cn2c(=O)c(CN[C@@H](C)C(=O)NC3=CSC(c4cnc(C)c(F)c4)N3)c(N)n(C)c2=O)no1.
What is the InChIKey of (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide?
The InChIKey is WKWHEVUQYQNYIN-JRTLGTJJSA-N. The full InChI is InChI=1S/C23H27FN8O4S/c1-11-5-15(30-36-11)9-32-22(34)16(19(25)31(4)23(32)35)8-27-13(3)20(33)28-18-10-37-21(29-18)14-6-17(24)12(2)26-7-14/h5-7,10,13,21,27,29H,8-9,25H2,1-4H3,(H,28,33)/t13-,21?/m0/s1.
What are the key properties of (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide?
(2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide has a molecular weight of 530.59 g/mol, XLogP of 0.74, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-amino-1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,4-dioxopyrimidin-5-yl]methylamino]-N-[2-(5-fluoro-6-methyl-3-pyridinyl)-2,3-dihydro-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 118970482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).