N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

C14H20N4O2S2 — CID 71997578

IUPACN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C(C)C)c1)c1csc(C2CC2)n1
InChIInChI=1S/C14H20N4O2S2/c1-9(2)18-7-12(6-15-18)22(19,20)17-10(3)13-8-21-14(16-13)11-4-5-11/h6-11,17H,4-5H2,1-3H3
InChIKeyRHXKDNPPCOXQEG-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71997578) has the molecular formula C14H20N4O2S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71997578
Molecular FormulaC14H20N4O2S2
Molecular Weight340.47 g/mol
Exact Mass340.10
IUPAC NameN-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C(C)C)c1)c1csc(C2CC2)n1
InChIInChI=1S/C14H20N4O2S2/c1-9(2)18-7-12(6-15-18)22(19,20)17-10(3)13-8-21-14(16-13)11-4-5-11/h6-11,17H,4-5H2,1-3H3
InChIKeyRHXKDNPPCOXQEG-UHFFFAOYSA-N
XLogP2.84
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71997578) is N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(C(C)C)c1)c1csc(C2CC2)n1.
What is the InChIKey of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is RHXKDNPPCOXQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S2/c1-9(2)18-7-12(6-15-18)22(19,20)17-10(3)13-8-21-14(16-13)11-4-5-11/h6-11,17H,4-5H2,1-3H3.
What are the key properties of N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropyl-1,3-thiazol-4-yl)ethyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).