3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

C14H18N4O2S — CID 81037428

IUPAC3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NC(C)(C)C(N)=O)c(N)c2c(C)n1
InChIInChI=1S/C14H18N4O2S/c1-6-5-8-9(7(2)17-6)10(15)11(21-8)12(19)18-14(3,4)13(16)20/h5H,15H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyYXKBLVDOOOBDTG-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.49
Rot. Bonds3

About 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81037428) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID81037428
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NC(C)(C)C(N)=O)c(N)c2c(C)n1
InChIInChI=1S/C14H18N4O2S/c1-6-5-8-9(7(2)17-6)10(15)11(21-8)12(19)18-14(3,4)13(16)20/h5H,15H2,1-4H3,(H2,16,20)(H,18,19)
InChIKeyYXKBLVDOOOBDTG-UHFFFAOYSA-N
XLogP1.49
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037438
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 106174323
3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053330
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 107323848
3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861
3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038201
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760
3-amino-4,6-dimethyl-N-(oxolan-3-yl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052702
3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81036990

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (CID 81037428) is 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NC(C)(C)C(N)=O)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is YXKBLVDOOOBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-6-5-8-9(7(2)17-6)10(15)11(21-8)12(19)18-14(3,4)13(16)20/h5H,15H2,1-4H3,(H2,16,20)(H,18,19).
What are the key properties of 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81037428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).