tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate

C15H28N4O2S — CID 129413596

IUPACtert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
SMILESCC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1csnn1
InChIInChI=1S/C15H28N4O2S/c1-11(2)7-15(6,17-8-12-9-22-19-18-12)10-16-13(20)21-14(3,4)5/h9,11,17H,7-8,10H2,1-6H3,(H,16,20)/t15-/m0/s1
InChIKeyASCAVYXYTFSYFH-HNNXBMFYSA-N
MW328.48 g/mol
LogP2.96
Rot. Bonds7

About tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate

tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate (PubChem CID 129413596) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
PubChem CID129413596
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Nametert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate
SMILESCC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1csnn1
InChIInChI=1S/C15H28N4O2S/c1-11(2)7-15(6,17-8-12-9-22-19-18-12)10-16-13(20)21-14(3,4)5/h9,11,17H,7-8,10H2,1-6H3,(H,16,20)/t15-/m0/s1
InChIKeyASCAVYXYTFSYFH-HNNXBMFYSA-N
XLogP2.96
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[(4-chlorothiophen-2-yl)methylamino]-2,4-dimethylpentyl]carbamate
CID 107252602
tert-butyl N-[2-(2-ethylbutylamino)-2,4-dimethylpentyl]carbamate
CID 107252599
tert-butyl N-[(2R)-2,4-dimethyl-2-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pentyl]carbamate
CID 97013434
tert-butyl N-[2-cyclohexyl-2-(thiadiazol-4-ylmethylamino)ethyl]carbamate
CID 103922943
tert-butyl N-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]carbamate
CID 103923191
tert-butyl N-[(2R)-2-[[3-(3-cyanopropoxy)-4-methoxyphenyl]methylamino]-2,4-dimethylpentyl]carbamate
CID 97079456
tert-butyl N-[(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]amino]-2,4-dimethylpentyl]carbamate
CID 97013429
tert-butyl N-[2-(cyclohex-3-en-1-ylmethylamino)-2,4-dimethylpentyl]carbamate
CID 107252592
tert-butyl N-[1-(thiadiazol-4-yl)ethyl]carbamate
CID 130913963
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
2,3-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907182
tert-butyl N-[(2S)-1-hydroxy-2,4-dimethylpentan-2-yl]carbamate
CID 153040099

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate (CID 129413596) is tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate is CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCc1csnn1.
What is the InChIKey of tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate?
The InChIKey is ASCAVYXYTFSYFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-11(2)7-15(6,17-8-12-9-22-19-18-12)10-16-13(20)21-14(3,4)5/h9,11,17H,7-8,10H2,1-6H3,(H,16,20)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate?
tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate has a molecular weight of 328.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2,4-dimethyl-2-(thiadiazol-4-ylmethylamino)pentyl]carbamate is sourced from PubChem (CID 129413596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).