4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide

C11H13N5O3S — CID 87420034

IUPAC4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(OC(C)C)nc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C11H13N5O3S/c1-6(2)19-10-14-7(13-9(16-10)18-3)8(17)15-11-12-4-5-20-11/h4-6H,1-3H3,(H,12,15,17)
InChIKeyQLJNUKLLCBHCKL-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.38
Rot. Bonds5

About 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide

4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide (PubChem CID 87420034) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide
PubChem CID87420034
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide
SMILESCOc1nc(OC(C)C)nc(C(=O)Nc2nccs2)n1
InChIInChI=1S/C11H13N5O3S/c1-6(2)19-10-14-7(13-9(16-10)18-3)8(17)15-11-12-4-5-20-11/h4-6H,1-3H3,(H,12,15,17)
InChIKeyQLJNUKLLCBHCKL-UHFFFAOYSA-N
XLogP1.38
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide (CID 87420034) is 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide is COc1nc(OC(C)C)nc(C(=O)Nc2nccs2)n1.
What is the InChIKey of 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide?
The InChIKey is QLJNUKLLCBHCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-6(2)19-10-14-7(13-9(16-10)18-3)8(17)15-11-12-4-5-20-11/h4-6H,1-3H3,(H,12,15,17).
What are the key properties of 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide?
4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-propan-2-yloxy-N-(1,3-thiazol-2-yl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 87420034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).