N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide

C14H18N4OS — CID 103117931

IUPACN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
SMILESCC(CN(C)C(=O)c1nn(C)c2ccccc12)C(N)=S
InChIInChI=1S/C14H18N4OS/c1-9(13(15)20)8-17(2)14(19)12-10-6-4-5-7-11(10)18(3)16-12/h4-7,9H,8H2,1-3H3,(H2,15,20)
InChIKeySFTIMVKDXXTFHU-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.57
Rot. Bonds4

About N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide (PubChem CID 103117931) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
PubChem CID103117931
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
SMILESCC(CN(C)C(=O)c1nn(C)c2ccccc12)C(N)=S
InChIInChI=1S/C14H18N4OS/c1-9(13(15)20)8-17(2)14(19)12-10-6-4-5-7-11(10)18(3)16-12/h4-7,9H,8H2,1-3H3,(H2,15,20)
InChIKeySFTIMVKDXXTFHU-UHFFFAOYSA-N
XLogP1.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117767
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103117934
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
CID 107891232
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylindazole-3-carboxamide
CID 107491860
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide (CID 103117931) is N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide is CC(CN(C)C(=O)c1nn(C)c2ccccc12)C(N)=S.
What is the InChIKey of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide?
The InChIKey is SFTIMVKDXXTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9(13(15)20)8-17(2)14(19)12-10-6-4-5-7-11(10)18(3)16-12/h4-7,9H,8H2,1-3H3,(H2,15,20).
What are the key properties of N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide?
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 103117931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).