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

C10H19N3S — CID 60642086

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nc(NCCCN(C)C)sc1C
InChIInChI=1S/C10H19N3S/c1-8-9(2)14-10(12-8)11-6-5-7-13(3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyVVLHTHWFTXAEAR-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.12
Rot. Bonds5

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 60642086) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID60642086
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1nc(NCCCN(C)C)sc1C
InChIInChI=1S/C10H19N3S/c1-8-9(2)14-10(12-8)11-6-5-7-13(3)4/h5-7H2,1-4H3,(H,11,12)
InChIKeyVVLHTHWFTXAEAR-UHFFFAOYSA-N
XLogP2.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-diethylpropane-1,3-diamine
CID 65169160
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
N'-(4,5-dimethyl-1,3-thiazol-2-yl)hexane-1,6-diamine
CID 107844668
4,5-dimethyl-N-(4-methylsulfanylbutyl)-1,3-thiazol-2-amine
CID 115691855
2-[4-(dimethylamino)butylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569635
N-(3-cyclopropylpropyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 115691858
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
2-[2-(dimethylamino)ethylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 7412309
N',N'-dimethyl-N-[4-methyl-5-(methylaminosulfanyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 142015939
2-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethylamino]acetaldehyde
CID 174483066
N',N'-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)butane-1,4-diamine
CID 79142843
N-(2-cyclopentylethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169325

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine (CID 60642086) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1nc(NCCCN(C)C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is VVLHTHWFTXAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8-9(2)14-10(12-8)11-6-5-7-13(3)4/h5-7H2,1-4H3,(H,11,12).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 213.35 g/mol, XLogP of 2.12, 5 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'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 60642086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).