2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

C15H18FN3OS — CID 120589562

IUPAC2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)N)sc1Cc1ccccc1F
InChIInChI=1S/C15H18FN3OS/c1-9-12(8-10-6-4-5-7-11(10)16)21-14(18-9)19-13(20)15(2,3)17/h4-7H,8,17H2,1-3H3,(H,18,19,20)
InChIKeyWPNWYMUVWVNMFH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.86
Rot. Bonds4

About 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 120589562) has the molecular formula C15H18FN3OS and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID120589562
Molecular FormulaC15H18FN3OS
Molecular Weight307.39 g/mol
Exact Mass307.12
IUPAC Name2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)N)sc1Cc1ccccc1F
InChIInChI=1S/C15H18FN3OS/c1-9-12(8-10-6-4-5-7-11(10)16)21-14(18-9)19-13(20)15(2,3)17/h4-7H,8,17H2,1-3H3,(H,18,19,20)
InChIKeyWPNWYMUVWVNMFH-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
CID 119297267
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methoxypropanamide
CID 120986644
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 112846123
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51088329
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71938657
(2S,5R)-5-(aminomethyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120788767
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681
1-(2-fluorophenyl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112846127
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 120589563
3-bromo-N-[2-[[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55958712
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 120589562) is 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1nc(NC(=O)C(C)(C)N)sc1Cc1ccccc1F.
What is the InChIKey of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is WPNWYMUVWVNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3OS/c1-9-12(8-10-6-4-5-7-11(10)16)21-14(18-9)19-13(20)15(2,3)17/h4-7H,8,17H2,1-3H3,(H,18,19,20).
What are the key properties of 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 307.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 120589562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).