N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine

C7H13N3S — CID 106580953

IUPACN-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
SMILESCSC(C)CNc1ncc[nH]1
InChIInChI=1S/C7H13N3S/c1-6(11-2)5-10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyBRQQMDUYJTVLQQ-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.57
Rot. Bonds4

About N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine

N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine (PubChem CID 106580953) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
PubChem CID106580953
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
SMILESCSC(C)CNc1ncc[nH]1
InChIInChI=1S/C7H13N3S/c1-6(11-2)5-10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10)
InChIKeyBRQQMDUYJTVLQQ-UHFFFAOYSA-N
XLogP1.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(1H-imidazol-2-yl)propane-1,2-diamine
CID 139950297
N-(2-phenylpropyl)-1H-imidazol-2-amine
CID 106581004
5-methyl-N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine
CID 106580982
N-(2-propan-2-yloxyethyl)-1H-imidazol-2-amine
CID 106581604
N-methylsulfanyl-1H-imidazol-2-amine
CID 163525236
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
methane;N-propan-2-yl-1H-imidazol-2-amine
CID 158008675
N-(1-ethylsulfanylpropan-2-yl)-1H-imidazol-2-amine
CID 106582182
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
5-tert-butyl-N-(2-methylsulfanylpropyl)pyridin-2-amine
CID 107874875
4,6-dimethyl-N-(2-methylsulfanylpropyl)pyrimidin-2-amine
CID 115774265
N-benzyl-1H-imidazol-2-amine
CID 12847936

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The IUPAC name of N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine (CID 106580953) is N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine is CSC(C)CNc1ncc[nH]1.
What is the InChIKey of N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
The InChIKey is BRQQMDUYJTVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(11-2)5-10-7-8-3-4-9-7/h3-4,6H,5H2,1-2H3,(H2,8,9,10).
What are the key properties of N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine?
N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)-1H-imidazol-2-amine is sourced from PubChem (CID 106580953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).