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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Related Compounds

4-[4-(aminomethyl)phenyl]-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114810401
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
CID 114804253
4-[5-(aminomethyl)thiophen-2-yl]-N-(propylsulfamoyl)-1,3-thiazol-2-amine
CID 114810403
5-(aminomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 61477600
4-(aminomethyl)-N-(cyclopropylsulfamoyl)-1-methylpyrazol-5-amine
CID 114804098
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119293306
5-(aminomethyl)-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 43610440
N-[5-(aminomethyl)thiophen-2-yl]methanesulfonamide
CID 82507164
4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114804526
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-methylthiophene-3-sulfonamide
CID 106053111
5-(aminomethyl)-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 43615493
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-5-methyl-1,3-thiazol-2-yl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 120589150

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).