N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide

C15H19N3OS — CID 64556453

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C(C)N)cs1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-12(11-7-5-4-6-8-11)14(19)18-15-17-13(9-20-15)10(2)16/h4-10,12H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyDFWHABLNNLBYNQ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.30
Rot. Bonds5

About N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (PubChem CID 64556453) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
PubChem CID64556453
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C(C)N)cs1)c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-3-12(11-7-5-4-6-8-11)14(19)18-15-17-13(9-20-15)10(2)16/h4-10,12H,3,16H2,1-2H3,(H,17,18,19)
InChIKeyDFWHABLNNLBYNQ-UHFFFAOYSA-N
XLogP3.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 16850033
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
(2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 40538784
(2S)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 1291176
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 5174437
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
[4-(1-aminoethyl)-1,3-thiazol-2-yl]urea
CID 64557109
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 64557648
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 54958530

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide (CID 64556453) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is CCC(C(=O)Nc1nc(C(C)N)cs1)c1ccccc1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
The InChIKey is DFWHABLNNLBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-12(11-7-5-4-6-8-11)14(19)18-15-17-13(9-20-15)10(2)16/h4-10,12H,3,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide has a molecular weight of 289.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 64556453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).