4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

C12H18N4O2S3 — CID 114810414

IUPAC4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CCN)s2)cs1
InChIInChI=1S/C12H18N4O2S3/c1-2-7-14-21(17,18)16-12-15-10(8-19-12)11-4-3-9(20-11)5-6-13/h3-4,8,14H,2,5-7,13H2,1H3,(H,15,16)
InChIKeyDRSWIGQNAQASBX-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.03
Rot. Bonds8

About 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine

4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (PubChem CID 114810414) has the molecular formula C12H18N4O2S3 and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
PubChem CID114810414
Molecular FormulaC12H18N4O2S3
Molecular Weight346.50 g/mol
Exact Mass346.06
IUPAC Name4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
SMILESCCCNS(=O)(=O)Nc1nc(-c2ccc(CCN)s2)cs1
InChIInChI=1S/C12H18N4O2S3/c1-2-7-14-21(17,18)16-12-15-10(8-19-12)11-4-3-9(20-11)5-6-13/h3-4,8,14H,2,5-7,13H2,1H3,(H,15,16)
InChIKeyDRSWIGQNAQASBX-UHFFFAOYSA-N
XLogP2.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810403
4-[4-(aminomethyl)phenyl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810398
N-[2-[5-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603177
N-[2-[5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 24603170
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
2-[4-[5-(2-aminoethyl)thiophen-2-yl]-1,3-thiazol-2-yl]guanidine;dihydrochloride
CID 67850414
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
4-(4-aminophenyl)-N-(methylsulfamoyl)-1,3-thiazol-2-amine
CID 114804525
N-[2-[5-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]methanesulfonamide
CID 18141554
N-[2-[5-[2-(furan-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 25487674
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine (CID 114810414) is 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is CCCNS(=O)(=O)Nc1nc(-c2ccc(CCN)s2)cs1.
What is the InChIKey of 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
The InChIKey is DRSWIGQNAQASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S3/c1-2-7-14-21(17,18)16-12-15-10(8-19-12)11-4-3-9(20-11)5-6-13/h3-4,8,14H,2,5-7,13H2,1H3,(H,15,16).
What are the key properties of 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine?
4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine has a molecular weight of 346.50 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-aminoethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 114810414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).