N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C16H29N3S — CID 64543943

IUPACN-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C16H29N3S/c1-4-11-17-13(2)15-12-20-16(18-15)19(3)14-9-7-5-6-8-10-14/h12-14,17H,4-11H2,1-3H3
InChIKeyQVAWVMNWFQFVQN-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.36
Rot. Bonds6

About N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64543943) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64543943
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C16H29N3S/c1-4-11-17-13(2)15-12-20-16(18-15)19(3)14-9-7-5-6-8-10-14/h12-14,17H,4-11H2,1-3H3
InChIKeyQVAWVMNWFQFVQN-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64543943) is N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(C)C2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QVAWVMNWFQFVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-11-17-13(2)15-12-20-16(18-15)19(3)14-9-7-5-6-8-10-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64543943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).