tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate

C19H25N7O2S — CID 156749944

IUPACtert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cnc2C#N)sn1
InChIInChI=1S/C19H25N7O2S/c1-12-8-16(29-25-12)24-17-14(9-20)21-10-15(23-17)26-7-5-6-13(11-26)22-18(27)28-19(2,3)4/h8,10,13H,5-7,11H2,1-4H3,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyZWZZWYZTQYFSGK-CYBMUJFWSA-N
MW415.52 g/mol
LogP3.35
Rot. Bonds4

About tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate (PubChem CID 156749944) has the molecular formula C19H25N7O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
PubChem CID156749944
Molecular FormulaC19H25N7O2S
Molecular Weight415.52 g/mol
Exact Mass415.18
IUPAC Nametert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate
SMILESCc1cc(Nc2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cnc2C#N)sn1
InChIInChI=1S/C19H25N7O2S/c1-12-8-16(29-25-12)24-17-14(9-20)21-10-15(23-17)26-7-5-6-13(11-26)22-18(27)28-19(2,3)4/h8,10,13H,5-7,11H2,1-4H3,(H,22,27)(H,23,24)/t13-/m1/s1
InChIKeyZWZZWYZTQYFSGK-CYBMUJFWSA-N
XLogP3.35
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-(cyclohexylcarbamoylamino)piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 159518448
tert-butyl N-[(3R)-1-[3-amino-2-(ethylamino)-6-methyl-4-pyridinyl]piperidin-3-yl]carbamate
CID 70975709
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 154680874
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;5-[(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 161294354
tert-butyl N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 133482310
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3R)-3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155059796
tert-butyl 4-[4-[[3-cyano-6-[3-(dimethylcarbamoylamino)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]-4-methylpiperidine-1-carboxylate
CID 118115061
3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[3-[(4-propan-2-ylbenzoyl)amino]piperidin-1-yl]pyrazine-2-carboxamide
CID 135361534
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
N-[(3R)-1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]acetamide
CID 118146345
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate (CID 156749944) is tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate is Cc1cc(Nc2nc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)cnc2C#N)sn1.
What is the InChIKey of tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate?
The InChIKey is ZWZZWYZTQYFSGK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N7O2S/c1-12-8-16(29-25-12)24-17-14(9-20)21-10-15(23-17)26-7-5-6-13(11-26)22-18(27)28-19(2,3)4/h8,10,13H,5-7,11H2,1-4H3,(H,22,27)(H,23,24)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate has a molecular weight of 415.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[5-cyano-6-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazin-2-yl]piperidin-3-yl]carbamate is sourced from PubChem (CID 156749944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).