N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

C14H20N4O2S — CID 8767072

IUPACN-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyLAVGBRRHDWGQDO-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.10
Rot. Bonds4

About N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide

N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (PubChem CID 8767072) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
PubChem CID8767072
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19)
InChIKeyLAVGBRRHDWGQDO-UHFFFAOYSA-N
XLogP1.10
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
5,5-Dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2540410
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
3,3-dimethyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933413
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)cyclopropanecarboxamide
CID 16933418
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)pivalamide
CID 16933412
2-ethyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933467
N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009170
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383840
1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(ethylamino)pyridin-2-one
CID 139390357

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide (CID 8767072) is N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is CN(CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
The InChIKey is LAVGBRRHDWGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide?
N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide has a molecular weight of 308.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide is sourced from PubChem (CID 8767072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).