1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine

C14H20N4S — CID 106566290

IUPAC1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine
SMILESCc1csc(CNc2nccn2C2CCCCC2)n1
InChIInChI=1S/C14H20N4S/c1-11-10-19-13(17-11)9-16-14-15-7-8-18(14)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,15,16)
InChIKeyQXHYWDHAPPYJRF-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.77
Rot. Bonds4

About 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine

1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine (PubChem CID 106566290) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine
PubChem CID106566290
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine
SMILESCc1csc(CNc2nccn2C2CCCCC2)n1
InChIInChI=1S/C14H20N4S/c1-11-10-19-13(17-11)9-16-14-15-7-8-18(14)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,15,16)
InChIKeyQXHYWDHAPPYJRF-UHFFFAOYSA-N
XLogP3.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine (CID 106566290) is 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine is Cc1csc(CNc2nccn2C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine?
The InChIKey is QXHYWDHAPPYJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-11-10-19-13(17-11)9-16-14-15-7-8-18(14)12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,15,16).
What are the key properties of 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine?
1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).