2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C11H20ClN3S — CID 83151823

IUPAC2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(Cl)cs1
InChIInChI=1S/C11H20ClN3S/c1-8(2)5-9(6-15(3)4)13-11-14-10(12)7-16-11/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyKPLWLFNSKRDTAM-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.18
Rot. Bonds6

About 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 83151823) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID83151823
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC Name2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1nc(Cl)cs1
InChIInChI=1S/C11H20ClN3S/c1-8(2)5-9(6-15(3)4)13-11-14-10(12)7-16-11/h7-9H,5-6H2,1-4H3,(H,13,14)
InChIKeyKPLWLFNSKRDTAM-UHFFFAOYSA-N
XLogP3.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 83151823) is 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)Nc1nc(Cl)cs1.
What is the InChIKey of 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is KPLWLFNSKRDTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3S/c1-8(2)5-9(6-15(3)4)13-11-14-10(12)7-16-11/h7-9H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 261.82 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-1,3-thiazol-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 83151823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).