methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate

C13H21N3O3S — CID 65210597

IUPACmethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1snnc1C(C)(C)C)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-7(2)8(12(18)19-6)14-11(17)9-10(13(3,4)5)15-16-20-9/h7-8H,1-6H3,(H,14,17)
InChIKeyGUTVDUPOPSPVMQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.76
Rot. Bonds4

About methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate

methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate (PubChem CID 65210597) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
PubChem CID65210597
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1snnc1C(C)(C)C)C(C)C
InChIInChI=1S/C13H21N3O3S/c1-7(2)8(12(18)19-6)14-11(17)9-10(13(3,4)5)15-16-20-9/h7-8H,1-6H3,(H,14,17)
InChIKeyGUTVDUPOPSPVMQ-UHFFFAOYSA-N
XLogP1.76
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 65206035
methyl (2S)-2-[[4-(4-methoxyphenyl)thiadiazole-5-carbonyl]amino]-3-methylbutanoate
CID 45495391
tert-butyl (2R)-2-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbutanoate
CID 81000063
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
4-tert-butyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiadiazole-5-carboxamide
CID 106512263
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
N-(1-aminohexan-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 80698104
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 65198611
4-tert-butyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]thiadiazole-5-carboxamide
CID 107866649
methyl (2S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoate
CID 62792031
4-[(4-tert-butylthiadiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 65205797

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate?
The IUPAC name of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate (CID 65210597) is methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1snnc1C(C)(C)C)C(C)C.
What is the InChIKey of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate?
The InChIKey is GUTVDUPOPSPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-7(2)8(12(18)19-6)14-11(17)9-10(13(3,4)5)15-16-20-9/h7-8H,1-6H3,(H,14,17).
What are the key properties of methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate has a molecular weight of 299.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butylthiadiazole-5-carbonyl)amino]-3-methylbutanoate is sourced from PubChem (CID 65210597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).