2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide

C15H19ClN4OS — CID 166418448

IUPAC2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1ccc(N(Cc2cnc(C3CC3)s2)C(=O)CCl)n1
InChIInChI=1S/C15H19ClN4OS/c1-10(2)20-6-5-13(18-20)19(14(21)7-16)9-12-8-17-15(22-12)11-3-4-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyYIZWOFICBVJXRG-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.57
Rot. Bonds6

About 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide

2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 166418448) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID166418448
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1ccc(N(Cc2cnc(C3CC3)s2)C(=O)CCl)n1
InChIInChI=1S/C15H19ClN4OS/c1-10(2)20-6-5-13(18-20)19(14(21)7-16)9-12-8-17-15(22-12)11-3-4-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyYIZWOFICBVJXRG-UHFFFAOYSA-N
XLogP3.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide (CID 166418448) is 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1ccc(N(Cc2cnc(C3CC3)s2)C(=O)CCl)n1.
What is the InChIKey of 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is YIZWOFICBVJXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-10(2)20-6-5-13(18-20)19(14(21)7-16)9-12-8-17-15(22-12)11-3-4-11/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide?
2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 338.86 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-(1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 166418448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).