N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine

C11H20N2S2 — CID 64650376

IUPACN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
SMILESCCNC(CC)C(C)Sc1nc(C)cs1
InChIInChI=1S/C11H20N2S2/c1-5-10(12-6-2)9(4)15-11-13-8(3)7-14-11/h7,9-10,12H,5-6H2,1-4H3
InChIKeyQBMSEDHNVORTKT-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine

N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine (PubChem CID 64650376) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
PubChem CID64650376
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
SMILESCCNC(CC)C(C)Sc1nc(C)cs1
InChIInChI=1S/C11H20N2S2/c1-5-10(12-6-2)9(4)15-11-13-8(3)7-14-11/h7,9-10,12H,5-6H2,1-4H3
InChIKeyQBMSEDHNVORTKT-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine (CID 64650376) is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine is CCNC(CC)C(C)Sc1nc(C)cs1.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine?
The InChIKey is QBMSEDHNVORTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-5-10(12-6-2)9(4)15-11-13-8(3)7-14-11/h7,9-10,12H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine?
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine has a molecular weight of 244.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine is sourced from PubChem (CID 64650376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).