methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride

C14H24ClN3O3S — CID 119338677

IUPACmethyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-6-7-8(15)11(18)17-13-16-10(14(2,3)4)9(21-13)12(19)20-5;/h8H,6-7,15H2,1-5H3,(H,16,17,18);1H
InChIKeyICHUICUBJOOBIL-UHFFFAOYSA-N
MW349.88 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride

methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride (PubChem CID 119338677) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride
PubChem CID119338677
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC Namemethyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride
SMILESCCCC(N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-6-7-8(15)11(18)17-13-16-10(14(2,3)4)9(21-13)12(19)20-5;/h8H,6-7,15H2,1-5H3,(H,16,17,18);1H
InChIKeyICHUICUBJOOBIL-UHFFFAOYSA-N
XLogP2.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 119269701
methyl 2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 120935938
methyl 4-tert-butyl-2-(pyrrolidine-2-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
CID 119338669
(2R)-2-amino-N-(thiatriazol-5-yl)pentanamide
CID 107570824
2-amino-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pentanamide
CID 119277043
methyl 4-tert-butyl-2-(morpholine-3-carbonylamino)-1,3-thiazole-5-carboxylate;hydrochloride
CID 119810039
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 119266990
methyl 3-(2-aminopentanoylamino)-4-methylbenzoate;hydrochloride
CID 119265257
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)pentanamide
CID 103794300
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
ethyl 2-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 84560961
methyl 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 114358824

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride (CID 119338677) is methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride is CCCC(N)C(=O)Nc1nc(C(C)(C)C)c(C(=O)OC)s1.Cl.
What is the InChIKey of methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride?
The InChIKey is ICHUICUBJOOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-6-7-8(15)11(18)17-13-16-10(14(2,3)4)9(21-13)12(19)20-5;/h8H,6-7,15H2,1-5H3,(H,16,17,18);1H.
What are the key properties of methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride?
methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminopentanoylamino)-4-tert-butyl-1,3-thiazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 119338677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).