N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

C12H21N3S — CID 79956145

IUPACN-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CSCC(C)(C)C1
InChIInChI=1S/C12H21N3S/c1-8-11(9(2)15-14-8)13-10-5-12(3,4)7-16-6-10/h10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyVVKNIVNTDCKBKL-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.97
Rot. Bonds2

About N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 79956145) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID79956145
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC1CSCC(C)(C)C1
InChIInChI=1S/C12H21N3S/c1-8-11(9(2)15-14-8)13-10-5-12(3,4)7-16-6-10/h10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyVVKNIVNTDCKBKL-UHFFFAOYSA-N
XLogP2.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-5,5-dimethylthian-3-amine
CID 79955508
5,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thian-3-amine
CID 79953835
5,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]thian-3-amine
CID 79953339
4-[(5,5-dimethylthian-3-yl)amino]-3-methylphenol
CID 79958569
5,5-dimethyl-N-(2-methylphenyl)thian-3-amine
CID 79956043
N-(5,5-dimethylthian-3-yl)-1H-indazol-6-amine
CID 79959113
N-(5,5-dimethylthian-3-yl)-2-methyl-3H-benzimidazol-5-amine
CID 79959114
N-[4-(1H-imidazol-5-yl)phenyl]-5,5-dimethylthian-3-amine
CID 79957974
N-(4,5-dimethoxy-2-methylphenyl)-5,5-dimethylthian-3-amine
CID 79958697
N-(2-fluoro-4-methylphenyl)-5,5-dimethylthian-3-amine
CID 79955065
N-(1,1-dioxothiolan-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547628
N-(5,5-dimethylthian-3-yl)quinoxalin-6-amine
CID 79958714

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 79956145) is N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC1CSCC(C)(C)C1.
What is the InChIKey of N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is VVKNIVNTDCKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-11(9(2)15-14-8)13-10-5-12(3,4)7-16-6-10/h10,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylthian-3-yl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 79956145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).