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

C13H23N3S — CID 103092329

IUPACN,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine
SMILESCCNC(C)/C=C/c1cnc(N(CC)CC)s1
InChIInChI=1S/C13H23N3S/c1-5-14-11(4)8-9-12-10-15-13(17-12)16(6-2)7-3/h8-11,14H,5-7H2,1-4H3/b9-8+
InChIKeyYJBSFZONIIXHTD-CMDGGOBGSA-N
MW253.41 g/mol
LogP3.00
Rot. Bonds7

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

N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine (PubChem CID 103092329) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine
PubChem CID103092329
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine
SMILESCCNC(C)/C=C/c1cnc(N(CC)CC)s1
InChIInChI=1S/C13H23N3S/c1-5-14-11(4)8-9-12-10-15-13(17-12)16(6-2)7-3/h8-11,14H,5-7H2,1-4H3/b9-8+
InChIKeyYJBSFZONIIXHTD-CMDGGOBGSA-N
XLogP3.00
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.00
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-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine (CID 103092329) is N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine is CCNC(C)/C=C/c1cnc(N(CC)CC)s1.
What is the InChIKey of N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine?
The InChIKey is YJBSFZONIIXHTD-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H23N3S/c1-5-14-11(4)8-9-12-10-15-13(17-12)16(6-2)7-3/h8-11,14H,5-7H2,1-4H3/b9-8+.
What are the key properties of N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine?
N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(E)-3-(ethylamino)but-1-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 103092329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).