N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine

C11H19N3S — CID 43435651

IUPACN-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
SMILESCC(Cn1ccnc1)NC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-10(8-14-5-4-12-9-14)13-11-2-6-15-7-3-11/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyBYARAPMUHIESQO-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.76
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine

N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine (PubChem CID 43435651) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
PubChem CID43435651
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)thian-4-amine
SMILESCC(Cn1ccnc1)NC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-10(8-14-5-4-12-9-14)13-11-2-6-15-7-3-11/h4-5,9-11,13H,2-3,6-8H2,1H3
InChIKeyBYARAPMUHIESQO-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)thiolan-3-amine
CID 43749649
N-(1-imidazol-1-ylpropan-2-yl)-3-methylcyclobutan-1-amine
CID 104859674
1-imidazol-1-yl-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131787
N-(1-imidazol-1-ylpropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091735
N-[(2S)-1-imidazol-1-ylpropan-2-yl]thiomorpholine-4-carboxamide
CID 94122810
N-cyclohexyl-4-[[(2R)-1-imidazol-1-ylpropan-2-yl]amino]piperidine-1-carboxamide
CID 95388436
N-(1-imidazol-1-ylpropan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79895086
N-(1-imidazol-1-ylpropan-2-yl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927780
2-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690014
3-(1-imidazol-1-ylpropan-2-ylamino)azepan-2-one
CID 54958570
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-inden-1-amine
CID 43749760
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43791978

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine (CID 43435651) is N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine is CC(Cn1ccnc1)NC1CCSCC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine?
The InChIKey is BYARAPMUHIESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-10(8-14-5-4-12-9-14)13-11-2-6-15-7-3-11/h4-5,9-11,13H,2-3,6-8H2,1H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine?
N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)thian-4-amine is sourced from PubChem (CID 43435651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).