N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

C10H18N2S — CID 3055296

IUPACN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CNC2=NCCS2)CC1
InChIInChI=1S/C10H18N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h9H,1-8H2,(H,11,12)
InChIKeyKIBIZCCCSVLYSL-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.26
Rot. Bonds2

About N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3055296) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3055296
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESC1CCC(CNC2=NCCS2)CC1
InChIInChI=1S/C10H18N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h9H,1-8H2,(H,11,12)
InChIKeyKIBIZCCCSVLYSL-UHFFFAOYSA-N
XLogP2.26
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3055296) is N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is C1CCC(CNC2=NCCS2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is KIBIZCCCSVLYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h9H,1-8H2,(H,11,12).
What are the key properties of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 198.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3055296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).