5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide

C12H15N3O2S3 — CID 106053641

IUPAC5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)sc1CN
InChIInChI=1S/C12H15N3O2S3/c1-7-4-11(19-10(7)5-13)20(16,17)15-12-14-9(6-18-12)8-2-3-8/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyPJKPGEHDCLJBLI-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.65
Rot. Bonds5

About 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide

5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide (PubChem CID 106053641) has the molecular formula C12H15N3O2S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide
PubChem CID106053641
Molecular FormulaC12H15N3O2S3
Molecular Weight329.47 g/mol
Exact Mass329.03
IUPAC Name5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)sc1CN
InChIInChI=1S/C12H15N3O2S3/c1-7-4-11(19-10(7)5-13)20(16,17)15-12-14-9(6-18-12)8-2-3-8/h4,6,8H,2-3,5,13H2,1H3,(H,14,15)
InChIKeyPJKPGEHDCLJBLI-UHFFFAOYSA-N
XLogP2.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 106053658
5-(aminomethyl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106082868
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327011
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methylbenzenesulfonamide
CID 61479666
3-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,6-dimethylbenzenesulfonamide
CID 61479839
3-(aminomethyl)-4-chloro-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106053656
5-(aminomethyl)-4-methyl-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088719
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyridine-4-sulfonamide
CID 62158122
5-(aminomethyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-sulfonamide
CID 106059520
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61480656
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-(ethylamino)benzenesulfonamide
CID 62157211
5-(aminomethyl)-N-(4-bromophenyl)-4-methylthiophene-2-sulfonamide
CID 106061445

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide (CID 106053641) is 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide?
The InChIKey is PJKPGEHDCLJBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S3/c1-7-4-11(19-10(7)5-13)20(16,17)15-12-14-9(6-18-12)8-2-3-8/h4,6,8H,2-3,5,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide?
5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 106053641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).