tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate

C18H24N4O3S — CID 75390054

IUPACtert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3S/c1-6-11(2)14(17(24)25-18(3,4)5)22-15(23)13-10-26-16(21-13)12-9-19-7-8-20-12/h7-11,14H,6H2,1-5H3,(H,22,23)/t11-,14-/m0/s1
InChIKeyQHGUYIFPBZIJPL-FZMZJTMJSA-N
MW376.48 g/mol
LogP3.09
Rot. Bonds6

About tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate

tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate (PubChem CID 75390054) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
PubChem CID75390054
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nametert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate
SMILESCC[C@H](C)[C@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3S/c1-6-11(2)14(17(24)25-18(3,4)5)22-15(23)13-10-26-16(21-13)12-9-19-7-8-20-12/h7-11,14H,6H2,1-5H3,(H,22,23)/t11-,14-/m0/s1
InChIKeyQHGUYIFPBZIJPL-FZMZJTMJSA-N
XLogP3.09
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate with MolForge

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Related Compounds

(2R)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 119369567
4-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 120534939
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293820
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293819
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
methyl (2S,3S)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate;hydrochloride
CID 119748437
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
N-[(2-methoxyphenyl)methyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 6734087
N-butan-2-yl-1-(3-methoxypropyl)-2-methyl-5-(2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3487567
4-ethyl-1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530164

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate?
The IUPAC name of tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate (CID 75390054) is tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate is CC[C@H](C)[C@H](NC(=O)c1csc(-c2cnccn2)n1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate?
The InChIKey is QHGUYIFPBZIJPL-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-6-11(2)14(17(24)25-18(3,4)5)22-15(23)13-10-26-16(21-13)12-9-19-7-8-20-12/h7-11,14H,6H2,1-5H3,(H,22,23)/t11-,14-/m0/s1.
What are the key properties of tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate?
tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate has a molecular weight of 376.48 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-3-methyl-2-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 75390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).