N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H21N3O2S — CID 126469794

IUPACN-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C15H21N3O2S/c1-6-9(2)17-12(19)10-7-16-14-18(13(10)20)11(8-21-14)15(3,4)5/h7-9H,6H2,1-5H3,(H,17,19)
InChIKeyYAVCKKCKXZRYAC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.58
Rot. Bonds3

About N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126469794) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126469794
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(C)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O
InChIInChI=1S/C15H21N3O2S/c1-6-9(2)17-12(19)10-7-16-14-18(13(10)20)11(8-21-14)15(3,4)5/h7-9H,6H2,1-5H3,(H,17,19)
InChIKeyYAVCKKCKXZRYAC-UHFFFAOYSA-N
XLogP2.58
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470044
3-tert-butyl-5-oxo-N-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470964
N-[(2S)-1-methoxypropan-2-yl]-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564193
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
3-tert-butyl-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470400
3-tert-butyl-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471203
3-tert-butyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71708072
(2R)-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]propanoic acid
CID 120526975
N-(1-hydroxybutan-2-yl)-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470131
N-(2,2-dimethylpropyl)-3-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469585
N-ethoxy-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469598
(3-tert-butylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 82062061

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126469794) is N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(C)NC(=O)c1cnc2scc(C(C)(C)C)n2c1=O.
What is the InChIKey of N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is YAVCKKCKXZRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-9(2)17-12(19)10-7-16-14-18(13(10)20)11(8-21-14)15(3,4)5/h7-9H,6H2,1-5H3,(H,17,19).
What are the key properties of N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-tert-butyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126469794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).