N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C14H25N3S — CID 62750040

IUPACN-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCN(c1ncc(C(C)NC)s1)C1CCCCC1
InChIInChI=1S/C14H25N3S/c1-4-17(12-8-6-5-7-9-12)14-16-10-13(18-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyRRKMQUJIZIUFSS-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.58
Rot. Bonds5

About N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62750040) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62750040
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCN(c1ncc(C(C)NC)s1)C1CCCCC1
InChIInChI=1S/C14H25N3S/c1-4-17(12-8-6-5-7-9-12)14-16-10-13(18-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3
InChIKeyRRKMQUJIZIUFSS-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62750040) is N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CCN(c1ncc(C(C)NC)s1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is RRKMQUJIZIUFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-17(12-8-6-5-7-9-12)14-16-10-13(18-14)11(2)15-3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62750040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).