2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide

C17H25N5O2S — CID 87001024

IUPAC2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C17H25N5O2S/c1-10(2)16(24)20-17-19-13(9-25-17)8-15(23)18-7-6-14-11(3)21-22(5)12(14)4/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyKSQFQPOTDQXEEV-UHFFFAOYSA-N
MW363.49 g/mol
LogP1.99
Rot. Bonds7

About 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 87001024) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID87001024
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)Cc1csc(NC(=O)C(C)C)n1
InChIInChI=1S/C17H25N5O2S/c1-10(2)16(24)20-17-19-13(9-25-17)8-15(23)18-7-6-14-11(3)21-22(5)12(14)4/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyKSQFQPOTDQXEEV-UHFFFAOYSA-N
XLogP1.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[2-(benzimidazol-1-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
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1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
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N-[4-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
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2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
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2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
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N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 87001024) is 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide is Cc1nn(C)c(C)c1CCNC(=O)Cc1csc(NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is KSQFQPOTDQXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-10(2)16(24)20-17-19-13(9-25-17)8-15(23)18-7-6-14-11(3)21-22(5)12(14)4/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,20,24).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 363.49 g/mol, XLogP of 1.99, 7 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-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 87001024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).