N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide

C11H19N3OS — CID 63002028

IUPACN-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCc1nccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(2)14-10(15)4-5-12-8-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyMCLNGUBLDFIKMD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.54
Rot. Bonds7

About N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide

N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide (PubChem CID 63002028) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
PubChem CID63002028
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCc1nccs1
InChIInChI=1S/C11H19N3OS/c1-3-9(2)14-10(15)4-5-12-8-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyMCLNGUBLDFIKMD-UHFFFAOYSA-N
XLogP1.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772
3-[(5-bromothiophen-3-yl)methylamino]-N-butan-2-ylpropanamide
CID 54893334
N-butan-2-yl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 61022788
N-butan-2-yl-3-(1H-pyrazol-5-ylmethylamino)propanamide
CID 61021841
N-butan-2-yl-2-(1,3-thiazol-2-ylamino)acetamide
CID 110693984
N-butan-2-yl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]propanamide
CID 62742182
N-butan-2-yl-3-[(4-chlorothiophen-2-yl)methylamino]propanamide
CID 79419396
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
N-butan-2-yl-3-[(2-cyano-4-pyridinyl)methylamino]propanamide
CID 63883080
N-butan-2-yl-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 54893410
N-butan-2-yl-3-(2-phenylpropylamino)propanamide
CID 54893679
3-[(5-bromopyrimidin-2-yl)amino]-N-butan-2-ylpropanamide
CID 63872452

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide (CID 63002028) is N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide is CCC(C)NC(=O)CCNCc1nccs1.
What is the InChIKey of N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
The InChIKey is MCLNGUBLDFIKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9(2)14-10(15)4-5-12-8-11-13-6-7-16-11/h6-7,9,12H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide?
N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide has a molecular weight of 241.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(1,3-thiazol-2-ylmethylamino)propanamide is sourced from PubChem (CID 63002028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).