3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide

C16H21N3OS — CID 120500624

IUPAC3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(NC(=O)C(C)C(C)N)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-10(11(2)17)15(20)18-12(3)16-19-14(9-21-16)13-7-5-4-6-8-13/h4-12H,17H2,1-3H3,(H,18,20)
InChIKeyTUCXIGLADJZPNQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.97
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide

3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide (PubChem CID 120500624) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
PubChem CID120500624
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
SMILESCC(NC(=O)C(C)C(C)N)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H21N3OS/c1-10(11(2)17)15(20)18-12(3)16-19-14(9-21-16)13-7-5-4-6-8-13/h4-12H,17H2,1-3H3,(H,18,20)
InChIKeyTUCXIGLADJZPNQ-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
(2R)-2-(cyclopropylmethoxy)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 95291640
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553
4-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673541
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 153333164
4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 119778960
1-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 95760159
3-methyl-2-(4-phenyl-1,3-thiazol-2-yl)butanoic acid
CID 116967222

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide (CID 120500624) is 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide is CC(NC(=O)C(C)C(C)N)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide?
The InChIKey is TUCXIGLADJZPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-10(11(2)17)15(20)18-12(3)16-19-14(9-21-16)13-7-5-4-6-8-13/h4-12H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide?
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide has a molecular weight of 303.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 120500624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).