N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

C13H19N3O4S — CID 90572335

IUPACN,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(CCO)CCO)CS2
InChIInChI=1S/C13H19N3O4S/c1-9-6-14-13-16(11(9)19)7-10(8-21-13)12(20)15(2-4-17)3-5-18/h6,10,17-18H,2-5,7-8H2,1H3
InChIKeyDQJCCZHLVINNSL-UHFFFAOYSA-N
MW313.38 g/mol
LogP-0.91
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide

N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (PubChem CID 90572335) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
PubChem CID90572335
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
SMILESCc1cnc2n(c1=O)CC(C(=O)N(CCO)CCO)CS2
InChIInChI=1S/C13H19N3O4S/c1-9-6-14-13-16(11(9)19)7-10(8-21-13)12(20)15(2-4-17)3-5-18/h6,10,17-18H,2-5,7-8H2,1H3
InChIKeyDQJCCZHLVINNSL-UHFFFAOYSA-N
XLogP-0.91
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide (CID 90572335) is N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is Cc1cnc2n(c1=O)CC(C(=O)N(CCO)CCO)CS2.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
The InChIKey is DQJCCZHLVINNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-6-14-13-16(11(9)19)7-10(8-21-13)12(20)15(2-4-17)3-5-18/h6,10,17-18H,2-5,7-8H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide?
N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide has a molecular weight of 313.38 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide is sourced from PubChem (CID 90572335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).