N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H22N4O2S — CID 119600135

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H22N4O2S/c1-9(2)6-14(3,8-15)17-11(19)10-7-16-13-18(12(10)20)4-5-21-13/h7,9H,4-6,8,15H2,1-3H3,(H,17,19)
InChIKeyZJOUYYBPHCDGQD-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.84
Rot. Bonds5

About N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 119600135) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID119600135
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)CC(C)(CN)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C14H22N4O2S/c1-9(2)6-14(3,8-15)17-11(19)10-7-16-13-18(12(10)20)4-5-21-13/h7,9H,4-6,8,15H2,1-3H3,(H,17,19)
InChIKeyZJOUYYBPHCDGQD-UHFFFAOYSA-N
XLogP0.84
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 119600135) is N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)CC(C)(CN)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is ZJOUYYBPHCDGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-9(2)6-14(3,8-15)17-11(19)10-7-16-13-18(12(10)20)4-5-21-13/h7,9H,4-6,8,15H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 119600135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).