N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine

C10H16N2S — CID 56697065

IUPACN-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine
SMILESC=C1CN=C(NC2CCCCC2)S1
InChIInChI=1S/C10H16N2S/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h9H,1-7H2,(H,11,12)
InChIKeyPVMFSPNYVDYEAG-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.53
Rot. Bonds1

About N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine

N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine (PubChem CID 56697065) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine
PubChem CID56697065
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine
SMILESC=C1CN=C(NC2CCCCC2)S1
InChIInChI=1S/C10H16N2S/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h9H,1-7H2,(H,11,12)
InChIKeyPVMFSPNYVDYEAG-UHFFFAOYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine (CID 56697065) is N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine is C=C1CN=C(NC2CCCCC2)S1.
What is the InChIKey of N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine?
The InChIKey is PVMFSPNYVDYEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-7-11-10(13-8)12-9-5-3-2-4-6-9/h9H,1-7H2,(H,11,12).
What are the key properties of N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine?
N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine has a molecular weight of 196.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methylidene-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 56697065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).