N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide

C12H13N5O3S — CID 59011961

IUPACN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12
InChIInChI=1S/C12H13N5O3S/c1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h6H,2-5H2,1H3,(H,15,16,19)
InChIKeyDTPOGWPYNHUJAS-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.29
Rot. Bonds2

About N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide

N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide (PubChem CID 59011961) has the molecular formula C12H13N5O3S and a molecular weight of 307.33 g/mol. Its IUPAC name is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
PubChem CID59011961
Molecular FormulaC12H13N5O3S
Molecular Weight307.33 g/mol
Exact Mass307.07
IUPAC NameN-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12
InChIInChI=1S/C12H13N5O3S/c1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h6H,2-5H2,1H3,(H,15,16,19)
InChIKeyDTPOGWPYNHUJAS-UHFFFAOYSA-N
XLogP1.29
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide trifluoroacetate salt
CID 86616508
4-aminopiperidine-1-carbaldehyde;7-methoxy-N-methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine;3,3,3-trifluoroprop-1-en-2-ol
CID 143582255
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 161265043
(3S)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 172735374
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 172753440
7-Methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 57476597
4-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 59011930
[1-(7-methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-pyrrolidin-3(R)-yl]-carbamic acid tert-butyl ester
CID 59011933
(S)-3-amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 59011943
4-Amino-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 59011952
[1-(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-ylcarbamoyl)-piperidin-4-yl]-carbamic acid tert-butyl ester
CID 59011963
(3R)-3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide
CID 59011964

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The IUPAC name of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide (CID 59011961) is N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The canonical SMILES for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(=O)CC3)nc12.
What is the InChIKey of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
The InChIKey is DTPOGWPYNHUJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3S/c1-20-9-8-10(14-6-13-9)21-11(15-8)16-12(19)17-4-2-7(18)3-5-17/h6H,2-5H2,1H3,(H,15,16,19).
What are the key properties of N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide?
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-oxopiperidine-1-carboxamide is sourced from PubChem (CID 59011961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).