4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide

C11H21N5O3S2 — CID 116664858

IUPAC4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C11H21N5O3S2/c1-3-6-16(2)11-15-9(12)8(20-11)10(17)14-5-4-7-21(13,18)19/h3-7,12H2,1-2H3,(H,14,17)(H2,13,18,19)
InChIKeyYXMGZNDTBJTFAU-UHFFFAOYSA-N
MW335.46 g/mol
LogP-0.02
Rot. Bonds8

About 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide

4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 116664858) has the molecular formula C11H21N5O3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID116664858
Molecular FormulaC11H21N5O3S2
Molecular Weight335.46 g/mol
Exact Mass335.11
IUPAC Name4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C11H21N5O3S2/c1-3-6-16(2)11-15-9(12)8(20-11)10(17)14-5-4-7-21(13,18)19/h3-7,12H2,1-2H3,(H,14,17)(H2,13,18,19)
InChIKeyYXMGZNDTBJTFAU-UHFFFAOYSA-N
XLogP-0.02
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-methylhexyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671824
4-amino-N-(5-hydroxy-4-methylpentyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106163760
4-amino-2-[methyl(propyl)amino]-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665952
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208
4-amino-2-[methyl(propyl)amino]-N-[(E)-pent-3-enyl]-1,3-thiazole-5-carboxamide
CID 116673120
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116669734
4-amino-N-[3-(diethylamino)propyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116668561
4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663802
4-amino-2-[ethyl(methyl)amino]-N-(3-propoxypropyl)-1,3-thiazole-5-carboxamide
CID 116671855
4-amino-N-[(3-hydroxycyclobutyl)methyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671049

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide (CID 116664858) is 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NCCCS(N)(=O)=O)s1.
What is the InChIKey of 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YXMGZNDTBJTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S2/c1-3-6-16(2)11-15-9(12)8(20-11)10(17)14-5-4-7-21(13,18)19/h3-7,12H2,1-2H3,(H,14,17)(H2,13,18,19).
What are the key properties of 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 335.46 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(propyl)amino]-N-(3-sulfamoylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).