6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C14H20N4O2S — CID 167603336

IUPAC6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCCOCCC)n(C)c2nc(C)sc12
InChIInChI=1S/C14H20N4O2S/c1-4-6-20-7-5-16-14(19)11-10(8-15)12-13(18(11)3)17-9(2)21-12/h8,15H,4-7H2,1-3H3,(H,16,19)/b15-8+
InChIKeyKAQGBQRPCDYOSN-OVCLIPMQSA-N
MW308.41 g/mol
LogP2.10
Rot. Bonds7

About 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 167603336) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID167603336
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILES[H]/N=C/c1c(C(=O)NCCOCCC)n(C)c2nc(C)sc12
InChIInChI=1S/C14H20N4O2S/c1-4-6-20-7-5-16-14(19)11-10(8-15)12-13(18(11)3)17-9(2)21-12/h8,15H,4-7H2,1-3H3,(H,16,19)/b15-8+
InChIKeyKAQGBQRPCDYOSN-OVCLIPMQSA-N
XLogP2.10
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 167603336) is 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is [H]/N=C/c1c(C(=O)NCCOCCC)n(C)c2nc(C)sc12.
What is the InChIKey of 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is KAQGBQRPCDYOSN-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-6-20-7-5-16-14(19)11-10(8-15)12-13(18(11)3)17-9(2)21-12/h8,15H,4-7H2,1-3H3,(H,16,19)/b15-8+.
What are the key properties of 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoyl-2,4-dimethyl-N-(2-propoxyethyl)pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 167603336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).