2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide

C11H18N4O3S2 — CID 103348899

IUPAC2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C(=O)N(C)C
InChIInChI=1S/C11H18N4O3S2/c1-6(11(16)15(2)3)13-10-8(9(12)14-19-10)20(17,18)7-4-5-7/h6-7,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyQULBXUBDPRKCBN-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.55
Rot. Bonds5

About 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide

2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide (PubChem CID 103348899) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
PubChem CID103348899
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC Name2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide
SMILESCC(Nc1snc(N)c1S(=O)(=O)C1CC1)C(=O)N(C)C
InChIInChI=1S/C11H18N4O3S2/c1-6(11(16)15(2)3)13-10-8(9(12)14-19-10)20(17,18)7-4-5-7/h6-7,13H,4-5H2,1-3H3,(H2,12,14)
InChIKeyQULBXUBDPRKCBN-UHFFFAOYSA-N
XLogP0.55
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide (CID 103348899) is 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide is CC(Nc1snc(N)c1S(=O)(=O)C1CC1)C(=O)N(C)C.
What is the InChIKey of 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
The InChIKey is QULBXUBDPRKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-6(11(16)15(2)3)13-10-8(9(12)14-19-10)20(17,18)7-4-5-7/h6-7,13H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide?
2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide has a molecular weight of 318.42 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 103348899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).