methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate

C17H27N3O5S — CID 11303690

IUPACmethyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C17H27N3O5S/c1-9(2)8-11(14(22)24-7)19-13(21)12-10(3)18-15(26-12)20-16(23)25-17(4,5)6/h9,11H,8H2,1-7H3,(H,19,21)(H,18,20,23)/t11-/m0/s1
InChIKeyDUHYZPYBTYPRNS-NSHDSACASA-N
MW385.49 g/mol
LogP3.12
Rot. Bonds6

About methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate (PubChem CID 11303690) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate
PubChem CID11303690
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC Namemethyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C
InChIInChI=1S/C17H27N3O5S/c1-9(2)8-11(14(22)24-7)19-13(21)12-10(3)18-15(26-12)20-16(23)25-17(4,5)6/h9,11H,8H2,1-7H3,(H,19,21)(H,18,20,23)/t11-/m0/s1
InChIKeyDUHYZPYBTYPRNS-NSHDSACASA-N
XLogP3.12
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate with MolForge

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Related Compounds

[5-(1,2-Dimethyl-propylcarbamoyl)-4-methyl-thiazol-2-yl]-carbamic acid tert-butyl ester
CID 11186472
[5-(2,2-Dimethyl-propylcarbamoyl)-4-methyl-thiazol-2-yl]-carbamic acid tert-butyl ester
CID 11244321
[5-(Cyclohexylmethyl-carbamoyl)-4-methyl-thiazol-2-yl]-carbamic acid tert-butyl ester
CID 21911453
(S)-2-(2-((S)-1-((tert-Butoxycarbonyl)amino)-3-methylbutyl)-4-methylthiazole-5-carboxamido)-5-guanidinopentanoic acid
CID 71768013
(S)-3-tert-Butoxycarbonylamino-2-[(2-tert-butoxycarbonylamino-4-trifluoromethyl-thiazole-5-carbonyl)-amino]-propionic acid methyl ester
CID 88898037
Methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88898038
Methyl 2-(butoxycarbonylamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88923920
Methyl 3-(butoxycarbonylamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88923922
methyl (2S)-3-amino-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]propanoate
CID 88931174
Tert-butyl (4-methyl-5-(prop-2-yn-1-ylcarbamoyl)thiazol-2-yl)carbamate
CID 11231722
tert-butyl N-[5-[ethyl(propan-2-yl)carbamoyl]-4-methyl-1,3-thiazol-2-yl]carbamate
CID 11290360
Tert-butyl (5-(allylcarbamoyl)-4-methylthiazol-2-yl)carbamate
CID 11300956

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate (CID 11303690) is methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C.
What is the InChIKey of methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate?
The InChIKey is DUHYZPYBTYPRNS-NSHDSACASA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-9(2)8-11(14(22)24-7)19-13(21)12-10(3)18-15(26-12)20-16(23)25-17(4,5)6/h9,11H,8H2,1-7H3,(H,19,21)(H,18,20,23)/t11-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate?
methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate has a molecular weight of 385.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carbonyl]amino]pentanoate is sourced from PubChem (CID 11303690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).