N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide

C10H15N5O2S2 — CID 131919365

IUPACN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2csc(N)n2)cn1
InChIInChI=1S/C10H15N5O2S2/c1-2-3-15-6-9(5-12-15)19(16,17)13-4-8-7-18-10(11)14-8/h5-7,13H,2-4H2,1H3,(H2,11,14)
InChIKeyFPQDEOCASLPMMD-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.81
Rot. Bonds6

About N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide

N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide (PubChem CID 131919365) has the molecular formula C10H15N5O2S2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
PubChem CID131919365
Molecular FormulaC10H15N5O2S2
Molecular Weight301.40 g/mol
Exact Mass301.07
IUPAC NameN-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCc2csc(N)n2)cn1
InChIInChI=1S/C10H15N5O2S2/c1-2-3-15-6-9(5-12-15)19(16,17)13-4-8-7-18-10(11)14-8/h5-7,13H,2-4H2,1H3,(H2,11,14)
InChIKeyFPQDEOCASLPMMD-UHFFFAOYSA-N
XLogP0.81
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-amino-1,3-thiazol-4-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110718117
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-1,3-thiazol-2-amine
CID 131924986
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
N-[(5-ethylthiophen-2-yl)methyl]-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 106014748
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
4-(1-propylpyrazol-4-yl)sulfonylaniline
CID 90135651
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 110718074
1-[3-(methylamino)propyl]-N-pentylpyrazole-4-sulfonamide
CID 106058189
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-[2-[(2-amino-1,3-thiazol-4-yl)methylamino]propyl]ethanesulfonamide
CID 131942744

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide (CID 131919365) is N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCc2csc(N)n2)cn1.
What is the InChIKey of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide?
The InChIKey is FPQDEOCASLPMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S2/c1-2-3-15-6-9(5-12-15)19(16,17)13-4-8-7-18-10(11)14-8/h5-7,13H,2-4H2,1H3,(H2,11,14).
What are the key properties of N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide?
N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide has a molecular weight of 301.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-thiazol-4-yl)methyl]-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 131919365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).