tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate

C16H24N6O2S — CID 140657848

IUPACtert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate
SMILESCC1C(C)N(c2nc(N)nc3scnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N6O2S/c1-9-10(2)22(15(23)24-16(3,4)5)7-6-21(9)12-11-13(25-8-18-11)20-14(17)19-12/h8-10H,6-7H2,1-5H3,(H2,17,19,20)
InChIKeyOXAWOBBWEFMLHE-UHFFFAOYSA-N
MW364.48 g/mol
LogP2.50
Rot. Bonds1

About tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate

tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate (PubChem CID 140657848) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate
PubChem CID140657848
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Nametert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate
SMILESCC1C(C)N(c2nc(N)nc3scnc23)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H24N6O2S/c1-9-10(2)22(15(23)24-16(3,4)5)7-6-21(9)12-11-13(25-8-18-11)20-14(17)19-12/h8-10H,6-7H2,1-5H3,(H2,17,19,20)
InChIKeyOXAWOBBWEFMLHE-UHFFFAOYSA-N
XLogP2.50
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-methoxypyrimidin-5-yl)-3-methylpiperazine-1-carboxamide
CID 122443980
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71573359
[3-[[5-[[(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazine-1-carbonyl]amino]-4-methyl-2-pyridinyl]oxy]azetidin-1-yl] tert-butyl carbonate
CID 122444013
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(2-chloro-4-methylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443936
4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-ethylphenyl)-3-methylpiperazine-1-carboxamide
CID 122443897
tert-butyl 5-(4-methyl-1,3-thiazol-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 171506199
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 122443883
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
CID 122444077
[(3R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazin-1-yl] N-(4-methoxy-2-methylphenyl)carbamate
CID 122444202
[4-[[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methylpiperazine-1-carbonyl]amino]phenyl] benzoate
CID 122443947
tert-butyl (2S,3S)-2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 97337224
(3S)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-3-methyl-N-[2-methyl-4-(oxetan-3-yloxy)phenyl]piperazine-1-carboxamide
CID 122444040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate (CID 140657848) is tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate is CC1C(C)N(c2nc(N)nc3scnc23)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate?
The InChIKey is OXAWOBBWEFMLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-9-10(2)22(15(23)24-16(3,4)5)7-6-21(9)12-11-13(25-8-18-11)20-14(17)19-12/h8-10H,6-7H2,1-5H3,(H2,17,19,20).
What are the key properties of tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate?
tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate has a molecular weight of 364.48 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2,3-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 140657848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).