N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H14N4O2S — CID 167903386

IUPACN-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)cnc2s1
InChIInChI=1S/C14H14N4O2S/c1-8-7-18-13(20)11(6-16-14(18)21-8)12(19)17-10-3-2-9(4-10)5-15/h6-7,9-10H,2-4H2,1H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyAKSXOKJEZGMFNB-VHSXEESVSA-N
MW302.36 g/mol
LogP1.49
Rot. Bonds2

About N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 167903386) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID167903386
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)cnc2s1
InChIInChI=1S/C14H14N4O2S/c1-8-7-18-13(20)11(6-16-14(18)21-8)12(19)17-10-3-2-9(4-10)5-15/h6-7,9-10H,2-4H2,1H3,(H,17,19)/t9-,10+/m0/s1
InChIKeyAKSXOKJEZGMFNB-VHSXEESVSA-N
XLogP1.49
TPSA87.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18573669
2-methyl-5-oxo-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 119043237
N-ethoxy-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469740
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 114549960
2-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470982
N-(2,4-dimethylphenyl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 7266724
2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86891436
N-[(1R,3S)-3-cyanocyclohexyl]-2-methylbenzamide
CID 70845921
N-cyclopropyl-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248321
N-[(1R,3R)-3-cyanocyclopentyl]-2-methoxy-5-methylbenzamide
CID 99777899
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71707599
6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97158825

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 167903386) is N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)N[C@@H]3CC[C@H](C#N)C3)cnc2s1.
What is the InChIKey of N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is AKSXOKJEZGMFNB-VHSXEESVSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-8-7-18-13(20)11(6-16-14(18)21-8)12(19)17-10-3-2-9(4-10)5-15/h6-7,9-10H,2-4H2,1H3,(H,17,19)/t9-,10+/m0/s1.
What are the key properties of N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-cyanocyclopentyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 167903386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).