4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine

C13H23N3S — CID 106577137

IUPAC4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine
SMILESCc1cn(C(C)C)c(NCC2CCCCS2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)16-9-11(3)15-13(16)14-8-12-6-4-5-7-17-12/h9-10,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHVDSZCUICCITNJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.47
Rot. Bonds4

About 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine

4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine (PubChem CID 106577137) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine
PubChem CID106577137
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine
SMILESCc1cn(C(C)C)c(NCC2CCCCS2)n1
InChIInChI=1S/C13H23N3S/c1-10(2)16-9-11(3)15-13(16)14-8-12-6-4-5-7-17-12/h9-10,12H,4-8H2,1-3H3,(H,14,15)
InChIKeyHVDSZCUICCITNJ-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577109
N-cyclopentyl-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554830
6-chloro-2-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612105
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563002
6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80612498
1-(1,3-dimethylpyrazol-4-yl)-N-(thian-2-ylmethyl)ethanamine
CID 80600445
2-hydrazinyl-6-methyl-N-(thian-2-ylmethyl)pyrimidin-4-amine
CID 80926454
1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581063
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
6-methyl-2-(thian-2-ylmethylamino)pyridine-3-carbothioamide
CID 80600314
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(thian-2-ylmethyl)pyrimidine-4,6-diamine
CID 80991756
6-chloro-4-N-methyl-2-N-(thian-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80852504

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine (CID 106577137) is 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine is Cc1cn(C(C)C)c(NCC2CCCCS2)n1.
What is the InChIKey of 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine?
The InChIKey is HVDSZCUICCITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)16-9-11(3)15-13(16)14-8-12-6-4-5-7-17-12/h9-10,12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine?
4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106577137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).