4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole

C12H18N4O3S2 — CID 61453559

IUPAC4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
SMILESCC(C)N(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H18N4O3S2/c1-8(2)16(3)21(17,18)15-12-14-10(7-20-12)11-5-4-9(6-13)19-11/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)
InChIKeySAIPSGJOACNRAR-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.86
Rot. Bonds6

About 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole

4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole (PubChem CID 61453559) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
PubChem CID61453559
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole
SMILESCC(C)N(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1
InChIInChI=1S/C12H18N4O3S2/c1-8(2)16(3)21(17,18)15-12-14-10(7-20-12)11-5-4-9(6-13)19-11/h4-5,7-8H,6,13H2,1-3H3,(H,14,15)
InChIKeySAIPSGJOACNRAR-UHFFFAOYSA-N
XLogP1.86
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-methylpropane-2-sulfonamide
CID 63689366
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2-methylpropyl)guanidine
CID 57177289
N'-(2-amino-2-methoxyethyl)-N-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]methanimidamide
CID 67768400
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(2,2-dimethylpropyl)guanidine;dihydrochloride
CID 139729789
2-[4-[5-[(dimethylsulfamoylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine
CID 15704152
2-(dimethylsulfamoylamino)-4-phenyl-1,3-thiazole
CID 18870688
(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
CID 119274954
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-aminobutanamide;hydrochloride
CID 119696366
4-(4-bromophenyl)-2-(dimethylsulfamoylamino)-1,3-thiazole
CID 18870687
(2S)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-amino-4-methylpentanamide
CID 119696379
5-(aminomethyl)-N-methyl-N-propan-2-ylfuran-2-amine
CID 82503110
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;dihydrochloride
CID 139729799

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole?
The IUPAC name of 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole (CID 61453559) is 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole.
What is the SMILES notation for 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole?
The canonical SMILES for 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole is CC(C)N(C)S(=O)(=O)Nc1nc(-c2ccc(CN)o2)cs1.
What is the InChIKey of 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole?
The InChIKey is SAIPSGJOACNRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-8(2)16(3)21(17,18)15-12-14-10(7-20-12)11-5-4-9(6-13)19-11/h4-5,7-8H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole?
4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole has a molecular weight of 330.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)furan-2-yl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]-1,3-thiazole is sourced from PubChem (CID 61453559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).