N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine

C11H21N3S — CID 104682080

IUPACN,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)Cc1cscn1
InChIInChI=1S/C11H21N3S/c1-10(4-3-5-12)6-14(2)7-11-8-15-9-13-11/h8-10H,3-7,12H2,1-2H3
InChIKeyQZGPNHQBQKWIQR-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.95
Rot. Bonds7

About N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine

N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine (PubChem CID 104682080) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
PubChem CID104682080
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine
SMILESCC(CCCN)CN(C)Cc1cscn1
InChIInChI=1S/C11H21N3S/c1-10(4-3-5-12)6-14(2)7-11-8-15-9-13-11/h8-10H,3-7,12H2,1-2H3
InChIKeyQZGPNHQBQKWIQR-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine (CID 104682080) is N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine is CC(CCCN)CN(C)Cc1cscn1.
What is the InChIKey of N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is QZGPNHQBQKWIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-10(4-3-5-12)6-14(2)7-11-8-15-9-13-11/h8-10H,3-7,12H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine?
N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 227.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 104682080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).