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

C14H17N3OS — CID 61180169

IUPAC(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-9(2)12(15)13(18)17-11-5-3-4-10(8-11)14-16-6-7-19-14/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXSRYNHKBVHWKQN-LBPRGKRZSA-N
MW275.38 g/mol
LogP2.73
Rot. Bonds4

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

(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (PubChem CID 61180169) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
PubChem CID61180169
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C14H17N3OS/c1-9(2)12(15)13(18)17-11-5-3-4-10(8-11)14-16-6-7-19-14/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyXSRYNHKBVHWKQN-LBPRGKRZSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 61173914
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 79792418
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 87047322
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
1-[1-(2-bromophenyl)ethyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide (CID 61180169) is (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is CC(C)[C@H](N)C(=O)Nc1cccc(-c2nccs2)c1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
The InChIKey is XSRYNHKBVHWKQN-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)12(15)13(18)17-11-5-3-4-10(8-11)14-16-6-7-19-14/h3-9,12H,15H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide?
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide has a molecular weight of 275.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide is sourced from PubChem (CID 61180169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).