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

C15H24N4O2S — CID 94176827

IUPACN-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](CN(C)C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-11(9-18(3)4)17-13(20)12-8-16-15-19(14(12)21)5-6-22-15/h8,10-11H,5-7,9H2,1-4H3,(H,17,20)/t11-/m1/s1
InChIKeyWQIYNBDNDZUDPP-LLVKDONJSA-N
MW324.45 g/mol
LogP1.06
Rot. Bonds6

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

N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 94176827) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID94176827
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC(C)C[C@H](CN(C)C)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C15H24N4O2S/c1-10(2)7-11(9-18(3)4)17-13(20)12-8-16-15-19(14(12)21)5-6-22-15/h8,10-11H,5-7,9H2,1-4H3,(H,17,20)/t11-/m1/s1
InChIKeyWQIYNBDNDZUDPP-LLVKDONJSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 94176827) is N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC(C)C[C@H](CN(C)C)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WQIYNBDNDZUDPP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10(2)7-11(9-18(3)4)17-13(20)12-8-16-15-19(14(12)21)5-6-22-15/h8,10-11H,5-7,9H2,1-4H3,(H,17,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 94176827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).