N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H18N4OS — CID 32868453

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H18N4OS/c1-8-11(9(2)18(3)17-8)6-13(19)16-14-15-12(7-20-14)10-4-5-10/h7,10H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyWYHSHLSVLPGELI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.55
Rot. Bonds4

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 32868453) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID32868453
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C14H18N4OS/c1-8-11(9(2)18(3)17-8)6-13(19)16-14-15-12(7-20-14)10-4-5-10/h7,10H,4-6H2,1-3H3,(H,15,16,19)
InChIKeyWYHSHLSVLPGELI-UHFFFAOYSA-N
XLogP2.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 32868453) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is WYHSHLSVLPGELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-11(9(2)18(3)17-8)6-13(19)16-14-15-12(7-20-14)10-4-5-10/h7,10H,4-6H2,1-3H3,(H,15,16,19).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 32868453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).