3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide

C10H18N4OS — CID 103359183

IUPAC3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1cc(N)ns1
InChIInChI=1S/C10H18N4OS/c1-3-7(2)13-9(15)4-5-12-10-6-8(11)14-16-10/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15)
InChIKeyRZXRHNASLLXDQB-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.44
Rot. Bonds6

About 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide

3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide (PubChem CID 103359183) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide
PubChem CID103359183
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1cc(N)ns1
InChIInChI=1S/C10H18N4OS/c1-3-7(2)13-9(15)4-5-12-10-6-8(11)14-16-10/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15)
InChIKeyRZXRHNASLLXDQB-UHFFFAOYSA-N
XLogP1.44
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide (CID 103359183) is 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1cc(N)ns1.
What is the InChIKey of 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide?
The InChIKey is RZXRHNASLLXDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-7(2)13-9(15)4-5-12-10-6-8(11)14-16-10/h6-7,12H,3-5H2,1-2H3,(H2,11,14)(H,13,15).
What are the key properties of 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide?
3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide has a molecular weight of 242.35 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,2-thiazol-5-yl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 103359183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).