2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C17H23N5O2S — CID 47054966

IUPAC2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NC2CCCc3c2cnn3C)cs1
InChIInChI=1S/C17H23N5O2S/c1-10(2)16(24)21-17-19-11(9-25-17)7-15(23)20-13-5-4-6-14-12(13)8-18-22(14)3/h8-10,13H,4-7H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyZKMJTEBNVMGOIR-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 47054966) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID47054966
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NC2CCCc3c2cnn3C)cs1
InChIInChI=1S/C17H23N5O2S/c1-10(2)16(24)21-17-19-11(9-25-17)7-15(23)20-13-5-4-6-14-12(13)8-18-22(14)3/h8-10,13H,4-7H2,1-3H3,(H,20,23)(H,19,21,24)
InChIKeyZKMJTEBNVMGOIR-UHFFFAOYSA-N
XLogP2.21
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 47054966) is 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)NC2CCCc3c2cnn3C)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is ZKMJTEBNVMGOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-10(2)16(24)21-17-19-11(9-25-17)7-15(23)20-13-5-4-6-14-12(13)8-18-22(14)3/h8-10,13H,4-7H2,1-3H3,(H,20,23)(H,19,21,24).
What are the key properties of 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 47054966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).