4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine

C12H16N4O2S3 — CID 114810448

IUPAC4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(NS(=O)(=O)NC2CC2)nc1-c1ccc(CN)s1
InChIInChI=1S/C12H16N4O2S3/c1-7-11(10-5-4-9(6-13)20-10)14-12(19-7)16-21(17,18)15-8-2-3-8/h4-5,8,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyNBUDMAWXAMTYAJ-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.05
Rot. Bonds6

About 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine

4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 114810448) has the molecular formula C12H16N4O2S3 and a molecular weight of 344.49 g/mol. Its IUPAC name is 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine
PubChem CID114810448
Molecular FormulaC12H16N4O2S3
Molecular Weight344.49 g/mol
Exact Mass344.04
IUPAC Name4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(NS(=O)(=O)NC2CC2)nc1-c1ccc(CN)s1
InChIInChI=1S/C12H16N4O2S3/c1-7-11(10-5-4-9(6-13)20-10)14-12(19-7)16-21(17,18)15-8-2-3-8/h4-5,8,15H,2-3,6,13H2,1H3,(H,14,16)
InChIKeyNBUDMAWXAMTYAJ-UHFFFAOYSA-N
XLogP2.05
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine (CID 114810448) is 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(NS(=O)(=O)NC2CC2)nc1-c1ccc(CN)s1.
What is the InChIKey of 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is NBUDMAWXAMTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S3/c1-7-11(10-5-4-9(6-13)20-10)14-12(19-7)16-21(17,18)15-8-2-3-8/h4-5,8,15H,2-3,6,13H2,1H3,(H,14,16).
What are the key properties of 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine?
4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 344.49 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)thiophen-2-yl]-N-(cyclopropylsulfamoyl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114810448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).