N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C17H24N4OS — CID 50980924

IUPACN-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C17H24N4OS/c1-11-15(13(3)20(4)19-11)9-21(14-5-6-14)17(22)8-7-16-12(2)18-10-23-16/h10,14H,5-9H2,1-4H3
InChIKeyWRZOSNNTEVUEJN-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.93
Rot. Bonds6

About N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 50980924) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID50980924
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1ncsc1CCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1
InChIInChI=1S/C17H24N4OS/c1-11-15(13(3)20(4)19-11)9-21(14-5-6-14)17(22)8-7-16-12(2)18-10-23-16/h10,14H,5-9H2,1-4H3
InChIKeyWRZOSNNTEVUEJN-UHFFFAOYSA-N
XLogP2.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 50980924) is N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1ncsc1CCC(=O)N(Cc1c(C)nn(C)c1C)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is WRZOSNNTEVUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11-15(13(3)20(4)19-11)9-21(14-5-6-14)17(22)8-7-16-12(2)18-10-23-16/h10,14H,5-9H2,1-4H3.
What are the key properties of N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 332.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 50980924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).