N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine

C15H29N3S — CID 62752426

IUPACN-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(c1ncc(C(C)NCC)s1)C(C)CC
InChIInChI=1S/C15H29N3S/c1-6-9-10-18(12(4)7-2)15-17-11-14(19-15)13(5)16-8-3/h11-13,16H,6-10H2,1-5H3
InChIKeyWBPIEZFADHUKDR-UHFFFAOYSA-N
MW283.49 g/mol
LogP4.22
Rot. Bonds9

About N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine

N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62752426) has the molecular formula C15H29N3S and a molecular weight of 283.49 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62752426
Molecular FormulaC15H29N3S
Molecular Weight283.49 g/mol
Exact Mass283.21
IUPAC NameN-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCCN(c1ncc(C(C)NCC)s1)C(C)CC
InChIInChI=1S/C15H29N3S/c1-6-9-10-18(12(4)7-2)15-17-11-14(19-15)13(5)16-8-3/h11-13,16H,6-10H2,1-5H3
InChIKeyWBPIEZFADHUKDR-UHFFFAOYSA-N
XLogP4.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine (CID 62752426) is N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine is CCCCN(c1ncc(C(C)NCC)s1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WBPIEZFADHUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-6-9-10-18(12(4)7-2)15-17-11-14(19-15)13(5)16-8-3/h11-13,16H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine?
N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 283.49 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-5-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62752426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).