N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine

C9H17N3S — CID 12791198

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)sc1C
InChIInChI=1S/C9H17N3S/c1-7-8(2)13-9(11-7)10-5-6-12(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeyKNIFXGQFCSNKTF-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.73
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 12791198) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID12791198
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCc1nc(NCCN(C)C)sc1C
InChIInChI=1S/C9H17N3S/c1-7-8(2)13-9(11-7)10-5-6-12(3)4/h5-6H2,1-4H3,(H,10,11)
InChIKeyKNIFXGQFCSNKTF-UHFFFAOYSA-N
XLogP1.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine (CID 12791198) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine is Cc1nc(NCCN(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KNIFXGQFCSNKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-8(2)13-9(11-7)10-5-6-12(3)4/h5-6H2,1-4H3,(H,10,11).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 12791198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).