N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C14H25N3S — CID 62766939

IUPACN-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)C2CCCC2)sc1CNC
InChIInChI=1S/C14H25N3S/c1-4-12-13(10-15-3)18-14(16-12)17(5-2)11-8-6-7-9-11/h11,15H,4-10H2,1-3H3
InChIKeyBEIZWWZPHXUQTA-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.19
Rot. Bonds6

About N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62766939) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62766939
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(CC)C2CCCC2)sc1CNC
InChIInChI=1S/C14H25N3S/c1-4-12-13(10-15-3)18-14(16-12)17(5-2)11-8-6-7-9-11/h11,15H,4-10H2,1-3H3
InChIKeyBEIZWWZPHXUQTA-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62766939) is N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CCc1nc(N(CC)C2CCCC2)sc1CNC.
What is the InChIKey of N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is BEIZWWZPHXUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12-13(10-15-3)18-14(16-12)17(5-2)11-8-6-7-9-11/h11,15H,4-10H2,1-3H3.
What are the key properties of N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N,4-diethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62766939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).