N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H20N4OS — CID 17413558

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C14H20N4OS/c1-8-11(4)20-14(15-8)16-13(19)7-6-12-9(2)17-18(5)10(12)3/h6-7H2,1-5H3,(H,15,16,19)
InChIKeyJDAOSFFGDDJLDM-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.68
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 17413558) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID17413558
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2c(C)nn(C)c2C)sc1C
InChIInChI=1S/C14H20N4OS/c1-8-11(4)20-14(15-8)16-13(19)7-6-12-9(2)17-18(5)10(12)3/h6-7H2,1-5H3,(H,15,16,19)
InChIKeyJDAOSFFGDDJLDM-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 17413558) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nc(NC(=O)CCc2c(C)nn(C)c2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JDAOSFFGDDJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-8-11(4)20-14(15-8)16-13(19)7-6-12-9(2)17-18(5)10(12)3/h6-7H2,1-5H3,(H,15,16,19).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 292.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 17413558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).