2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H24N4O3S — CID 97255982

IUPAC2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1
InChIInChI=1S/C21H24N4O3S/c1-15-13-25-20(27)18(12-22-21(25)29-15)19(26)23-17(11-16-5-3-2-4-6-16)14-24-7-9-28-10-8-24/h2-6,12-13,17H,7-11,14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyMJRHLWWIDQQUNK-KRWDZBQOSA-N
MW412.52 g/mol
LogP1.74
Rot. Bonds6

About 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 97255982) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID97255982
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1
InChIInChI=1S/C21H24N4O3S/c1-15-13-25-20(27)18(12-22-21(25)29-15)19(26)23-17(11-16-5-3-2-4-6-16)14-24-7-9-28-10-8-24/h2-6,12-13,17H,7-11,14H2,1H3,(H,23,26)/t17-/m0/s1
InChIKeyMJRHLWWIDQQUNK-KRWDZBQOSA-N
XLogP1.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 97255982) is 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)N[C@@H](Cc3ccccc3)CN3CCOCC3)cnc2s1.
What is the InChIKey of 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is MJRHLWWIDQQUNK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15-13-25-20(27)18(12-22-21(25)29-15)19(26)23-17(11-16-5-3-2-4-6-16)14-24-7-9-28-10-8-24/h2-6,12-13,17H,7-11,14H2,1H3,(H,23,26)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 97255982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).