N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine

C8H15N3S — CID 82406034

IUPACN,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C)sn1
InChIInChI=1S/C8H15N3S/c1-6-4-8(12-10-6)7(5-9)11(2)3/h4,7H,5,9H2,1-3H3
InChIKeyKXIVHGYITGVSGT-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.01
Rot. Bonds3

About N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine

N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine (PubChem CID 82406034) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine
PubChem CID82406034
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C)sn1
InChIInChI=1S/C8H15N3S/c1-6-4-8(12-10-6)7(5-9)11(2)3/h4,7H,5,9H2,1-3H3
InChIKeyKXIVHGYITGVSGT-UHFFFAOYSA-N
XLogP1.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine (CID 82406034) is N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine is Cc1cc(C(CN)N(C)C)sn1.
What is the InChIKey of N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine?
The InChIKey is KXIVHGYITGVSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-6-4-8(12-10-6)7(5-9)11(2)3/h4,7H,5,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine?
N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine has a molecular weight of 185.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methyl-1,2-thiazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 82406034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).