2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide

C10H16ClN3OS — CID 104878455

IUPAC2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-3-4-12-10(15)7(2)13-6-9-14-5-8(11)16-9/h5,7,13H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyDAXNWHGBXWUBOW-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.80
Rot. Bonds6

About 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide (PubChem CID 104878455) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
PubChem CID104878455
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-3-4-12-10(15)7(2)13-6-9-14-5-8(11)16-9/h5,7,13H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyDAXNWHGBXWUBOW-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide (CID 104878455) is 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ncc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide?
The InChIKey is DAXNWHGBXWUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-3-4-12-10(15)7(2)13-6-9-14-5-8(11)16-9/h5,7,13H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide?
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide has a molecular weight of 261.78 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 104878455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).