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

C10H16ClN3OS — CID 107124162

IUPAC2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-6(2)14-10(15)7(3)12-5-9-13-4-8(11)16-9/h4,6-7,12H,5H2,1-3H3,(H,14,15)
InChIKeyZQPSYUULKKUOHP-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.80
Rot. Bonds5

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

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide (PubChem CID 107124162) 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-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
PubChem CID107124162
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NCc1ncc(Cl)s1
InChIInChI=1S/C10H16ClN3OS/c1-6(2)14-10(15)7(3)12-5-9-13-4-8(11)16-9/h4,6-7,12H,5H2,1-3H3,(H,14,15)
InChIKeyZQPSYUULKKUOHP-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
CID 104878456
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
CID 104878455
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 113406905
2-[(3,5-dichlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406685
(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 107124106
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
tert-butyl N-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-cyclopropylethyl]carbamate
CID 104879550

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide (CID 107124162) is 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NCc1ncc(Cl)s1.
What is the InChIKey of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
The InChIKey is ZQPSYUULKKUOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-6(2)14-10(15)7(3)12-5-9-13-4-8(11)16-9/h4,6-7,12H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide?
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide has a molecular weight of 261.78 g/mol, XLogP of 1.80, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 107124162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).