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

C13H21N3S — CID 106580084

IUPACN-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
SMILESCc1cn(CC2CCSCC2)c(NC2CC2)n1
InChIInChI=1S/C13H21N3S/c1-10-8-16(9-11-4-6-17-7-5-11)13(14-10)15-12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,14,15)
InChIKeyFNWBNVFUSUOCEJ-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.91
Rot. Bonds4

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

N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine (PubChem CID 106580084) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
PubChem CID106580084
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
SMILESCc1cn(CC2CCSCC2)c(NC2CC2)n1
InChIInChI=1S/C13H21N3S/c1-10-8-16(9-11-4-6-17-7-5-11)13(14-10)15-12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,14,15)
InChIKeyFNWBNVFUSUOCEJ-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580072
N-cyclohexyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571766
N-cyclopropyl-4-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106564291
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
CID 106582144
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
N-cyclohexyl-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565120
N-cyclopropyl-4-methyl-1-(2,2,2-trifluoroethyl)imidazol-2-amine
CID 106558060
1-(cyclobutylmethyl)-N,4-dimethylimidazol-2-amine
CID 106561421
N-cyclopentyl-4-methyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565267
N-cyclopropyl-4-methyl-1-[(2-methylthiolan-2-yl)methyl]imidazol-2-amine
CID 106578219
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine (CID 106580084) is N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine is Cc1cn(CC2CCSCC2)c(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine?
The InChIKey is FNWBNVFUSUOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10-8-16(9-11-4-6-17-7-5-11)13(14-10)15-12-2-3-12/h8,11-12H,2-7,9H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine?
N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106580084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).