tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate

C20H25N5O2S2 — CID 160703519

IUPACtert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate
SMILESCc1cc(Cc2nc(NC3CC(NC(=O)OC(C)(C)C)C3)c3sccc3n2)sn1
InChIInChI=1S/C20H25N5O2S2/c1-11-7-14(29-25-11)10-16-23-15-5-6-28-17(15)18(24-16)21-12-8-13(9-12)22-19(26)27-20(2,3)4/h5-7,12-13H,8-10H2,1-4H3,(H,22,26)(H,21,23,24)
InChIKeyRQXQKRUZGZPPAA-UHFFFAOYSA-N
MW431.59 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate

tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate (PubChem CID 160703519) has the molecular formula C20H25N5O2S2 and a molecular weight of 431.59 g/mol. Its IUPAC name is tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate
PubChem CID160703519
Molecular FormulaC20H25N5O2S2
Molecular Weight431.59 g/mol
Exact Mass431.14
IUPAC Nametert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate
SMILESCc1cc(Cc2nc(NC3CC(NC(=O)OC(C)(C)C)C3)c3sccc3n2)sn1
InChIInChI=1S/C20H25N5O2S2/c1-11-7-14(29-25-11)10-16-23-15-5-6-28-17(15)18(24-16)21-12-8-13(9-12)22-19(26)27-20(2,3)4/h5-7,12-13H,8-10H2,1-4H3,(H,22,26)(H,21,23,24)
InChIKeyRQXQKRUZGZPPAA-UHFFFAOYSA-N
XLogP4.51
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.59
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate with MolForge

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Related Compounds

5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-pyrrolidin-3-yl]-1,2-thiazole-3-carboxamide
CID 158089385
tert-butyl (5R)-3-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 166773940
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-(quinolin-3-ylamino)cyclobutyl]carbamate
CID 103759434
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
tert-butyl N-[(1S,3S)-3-(thieno[3,2-b]pyridin-5-ylmethyl)cyclopentyl]carbamate
CID 158741772
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate (CID 160703519) is tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate is Cc1cc(Cc2nc(NC3CC(NC(=O)OC(C)(C)C)C3)c3sccc3n2)sn1.
What is the InChIKey of tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate?
The InChIKey is RQXQKRUZGZPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S2/c1-11-7-14(29-25-11)10-16-23-15-5-6-28-17(15)18(24-16)21-12-8-13(9-12)22-19(26)27-20(2,3)4/h5-7,12-13H,8-10H2,1-4H3,(H,22,26)(H,21,23,24).
What are the key properties of tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate?
tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate has a molecular weight of 431.59 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[2-[(3-methyl-1,2-thiazol-5-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 160703519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).