2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide

C12H21N3OS — CID 54958530

IUPAC2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-5-8(4)10(13)11(16)15-12-14-9(6-17-12)7(2)3/h6-8,10H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyUMMVFUSDRFMHAU-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.58
Rot. Bonds5

About 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide

2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 54958530) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID54958530
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCC(C)C(N)C(=O)Nc1nc(C(C)C)cs1
InChIInChI=1S/C12H21N3OS/c1-5-8(4)10(13)11(16)15-12-14-9(6-17-12)7(2)3/h6-8,10H,5,13H2,1-4H3,(H,14,15,16)
InChIKeyUMMVFUSDRFMHAU-UHFFFAOYSA-N
XLogP2.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 79013002
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-amino-3-methylpentanamide
CID 119676269
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
(2R)-2-amino-3-phenyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78985596
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
2-amino-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119694884
2-amino-3-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]pentanamide
CID 119779606
ethyl N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]carbamate
CID 64556710
N-pentan-3-yl-4-propan-2-yl-1,3-thiazol-2-amine
CID 58745672

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide (CID 54958530) is 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide is CCC(C)C(N)C(=O)Nc1nc(C(C)C)cs1.
What is the InChIKey of 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is UMMVFUSDRFMHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-5-8(4)10(13)11(16)15-12-14-9(6-17-12)7(2)3/h6-8,10H,5,13H2,1-4H3,(H,14,15,16).
What are the key properties of 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 255.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 54958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).