2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide

C27H33N5O3S — CID 135183211

IUPAC2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide
SMILESCNCC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3C)nccc2s1)C1CCOCC1
InChIInChI=1S/C27H33N5O3S/c1-17-6-3-4-7-19(17)24-25-21(9-12-29-24)36-26(31-25)20-8-5-13-32(20)27(34)23(30-22(33)16-28-2)18-10-14-35-15-11-18/h3-4,6-7,9,12,18,20,23,28H,5,8,10-11,13-16H2,1-2H3,(H,30,33)/t20-,23-/m0/s1
InChIKeyXQGXDCKPAFNYSD-REWPJTCUSA-N
MW507.66 g/mol
LogP3.46
Rot. Bonds7

About 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide

2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide (PubChem CID 135183211) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide
PubChem CID135183211
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC Name2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide
SMILESCNCC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3C)nccc2s1)C1CCOCC1
InChIInChI=1S/C27H33N5O3S/c1-17-6-3-4-7-19(17)24-25-21(9-12-29-24)36-26(31-25)20-8-5-13-32(20)27(34)23(30-22(33)16-28-2)18-10-14-35-15-11-18/h3-4,6-7,9,12,18,20,23,28H,5,8,10-11,13-16H2,1-2H3,(H,30,33)/t20-,23-/m0/s1
InChIKeyXQGXDCKPAFNYSD-REWPJTCUSA-N
XLogP3.46
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide (CID 135183211) is 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide is CNCC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3C)nccc2s1)C1CCOCC1.
What is the InChIKey of 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide?
The InChIKey is XQGXDCKPAFNYSD-REWPJTCUSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-17-6-3-4-7-19(17)24-25-21(9-12-29-24)36-26(31-25)20-8-5-13-32(20)27(34)23(30-22(33)16-28-2)18-10-14-35-15-11-18/h3-4,6-7,9,12,18,20,23,28H,5,8,10-11,13-16H2,1-2H3,(H,30,33)/t20-,23-/m0/s1.
What are the key properties of 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide?
2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide has a molecular weight of 507.66 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1S)-2-[(2S)-2-[4-(2-methylphenyl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 135183211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).