8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C19H27N5O2S — CID 71802315

IUPAC8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1
InChIInChI=1S/C19H27N5O2S/c1-12-8-13(2)24(22-12)7-6-20-17(26)14-10-23-16(25)9-15(19(3,4)5)21-18(23)27-11-14/h8-9,14H,6-7,10-11H2,1-5H3,(H,20,26)
InChIKeyFRCVWUVVCKPZJD-UHFFFAOYSA-N
MW389.53 g/mol
LogP1.89
Rot. Bonds4

About 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 71802315) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound Name8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID71802315
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1
InChIInChI=1S/C19H27N5O2S/c1-12-8-13(2)24(22-12)7-6-20-17(26)14-10-23-16(25)9-15(19(3,4)5)21-18(23)27-11-14/h8-9,14H,6-7,10-11H2,1-5H3,(H,20,26)
InChIKeyFRCVWUVVCKPZJD-UHFFFAOYSA-N
XLogP1.89
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 71802315) is 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cc(C)n(CCNC(=O)C2CSc3nc(C(C)(C)C)cc(=O)n3C2)n1.
What is the InChIKey of 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is FRCVWUVVCKPZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-12-8-13(2)24(22-12)7-6-20-17(26)14-10-23-16(25)9-15(19(3,4)5)21-18(23)27-11-14/h8-9,14H,6-7,10-11H2,1-5H3,(H,20,26).
What are the key properties of 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 71802315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).