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

C10H18ClN3S — CID 83157020

IUPAC2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc(Cl)cs1
InChIInChI=1S/C10H18ClN3S/c1-7(2)4-10(3,6-12)14-9-13-8(11)5-15-9/h5,7H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyYIADNKMDQQDORT-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.97
Rot. Bonds5

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

2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine (PubChem CID 83157020) has the molecular formula C10H18ClN3S and a molecular weight of 247.79 g/mol. Its IUPAC name is 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine
PubChem CID83157020
Molecular FormulaC10H18ClN3S
Molecular Weight247.79 g/mol
Exact Mass247.09
IUPAC Name2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine
SMILESCC(C)CC(C)(CN)Nc1nc(Cl)cs1
InChIInChI=1S/C10H18ClN3S/c1-7(2)4-10(3,6-12)14-9-13-8(11)5-15-9/h5,7H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyYIADNKMDQQDORT-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
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)-2,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine (CID 83157020) is 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine is CC(C)CC(C)(CN)Nc1nc(Cl)cs1.
What is the InChIKey of 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
The InChIKey is YIADNKMDQQDORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3S/c1-7(2)4-10(3,6-12)14-9-13-8(11)5-15-9/h5,7H,4,6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine?
2-N-(4-chloro-1,3-thiazol-2-yl)-2,4-dimethylpentane-1,2-diamine has a molecular weight of 247.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 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)-2,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 83157020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).