5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide

C18H20N4O3S — CID 51703542

IUPAC5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)Nc1ncc(C)s1)n2C
InChIInChI=1S/C18H20N4O3S/c1-10-9-19-18(26-10)21-16(23)11(2)20-17(24)15-8-12-7-13(25-4)5-6-14(12)22(15)3/h5-9,11H,1-4H3,(H,20,24)(H,19,21,23)/t11-/m1/s1
InChIKeyDVKQOMVGDXXSPX-LLVKDONJSA-N
MW372.45 g/mol
LogP2.71
Rot. Bonds5

About 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide

5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide (PubChem CID 51703542) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide
PubChem CID51703542
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)Nc1ncc(C)s1)n2C
InChIInChI=1S/C18H20N4O3S/c1-10-9-19-18(26-10)21-16(23)11(2)20-17(24)15-8-12-7-13(25-4)5-6-14(12)22(15)3/h5-9,11H,1-4H3,(H,20,24)(H,19,21,23)/t11-/m1/s1
InChIKeyDVKQOMVGDXXSPX-LLVKDONJSA-N
XLogP2.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide (CID 51703542) is 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)N[C@H](C)C(=O)Nc1ncc(C)s1)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide?
The InChIKey is DVKQOMVGDXXSPX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-10-9-19-18(26-10)21-16(23)11(2)20-17(24)15-8-12-7-13(25-4)5-6-14(12)22(15)3/h5-9,11H,1-4H3,(H,20,24)(H,19,21,23)/t11-/m1/s1.
What are the key properties of 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide?
5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 51703542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).