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

C10H18ClN3S — CID 83155925

IUPAC1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1nc(Cl)cs1
InChIInChI=1S/C10H18ClN3S/c1-7(2)8(12)4-5-14(3)10-13-9(11)6-15-10/h6-8H,4-5,12H2,1-3H3
InChIKeyLXLRKBBMSPFQPS-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.61
Rot. Bonds5

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

1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 83155925) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
PubChem CID83155925
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1nc(Cl)cs1
InChIInChI=1S/C10H18ClN3S/c1-7(2)8(12)4-5-14(3)10-13-9(11)6-15-10/h6-8H,4-5,12H2,1-3H3
InChIKeyLXLRKBBMSPFQPS-UHFFFAOYSA-N
XLogP2.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine (CID 83155925) is 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)c1nc(Cl)cs1.
What is the InChIKey of 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is LXLRKBBMSPFQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-7(2)8(12)4-5-14(3)10-13-9(11)6-15-10/h6-8H,4-5,12H2,1-3H3.
What are the key properties of 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine?
1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 247.79 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 83155925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).