N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine

C15H27N3S — CID 103093570

IUPACN,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)C(C)=Cc1cnc(N(CC)CC)s1
InChIInChI=1S/C15H27N3S/c1-6-9-16-13(5)12(4)10-14-11-17-15(19-14)18(7-2)8-3/h10-11,13,16H,6-9H2,1-5H3
InChIKeyILEKTHSDIPLRLP-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.78
Rot. Bonds8

About N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine

N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine (PubChem CID 103093570) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine
PubChem CID103093570
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)C(C)=Cc1cnc(N(CC)CC)s1
InChIInChI=1S/C15H27N3S/c1-6-9-16-13(5)12(4)10-14-11-17-15(19-14)18(7-2)8-3/h10-11,13,16H,6-9H2,1-5H3
InChIKeyILEKTHSDIPLRLP-UHFFFAOYSA-N
XLogP3.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine (CID 103093570) is N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine is CCCNC(C)C(C)=Cc1cnc(N(CC)CC)s1.
What is the InChIKey of N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine?
The InChIKey is ILEKTHSDIPLRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-6-9-16-13(5)12(4)10-14-11-17-15(19-14)18(7-2)8-3/h10-11,13,16H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[2-methyl-3-(propylamino)but-1-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103093570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).