1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

C11H19N3S — CID 116651463

IUPAC1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(c1nccs1)N(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14(2)10(7-12)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3
InChIKeyHRNXOFUWGPIFTP-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.87
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 116651463) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID116651463
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(c1nccs1)N(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14(2)10(7-12)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3
InChIKeyHRNXOFUWGPIFTP-UHFFFAOYSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylcyclohexyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 83977485
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
2-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetaldehyde
CID 87610344
1-cyclopropyl-N-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]ethane-1,2-diamine
CID 116651242
N-[1-(5-bromofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651570
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 64990579
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 77096662
1-cyclopropyl-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N-methylethane-1,2-diamine
CID 116651261
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
1-cyclopropyl-N-methyl-N-(2-methylpentan-3-yl)ethane-1,2-diamine
CID 116651334

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 116651463) is 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is CC(c1nccs1)N(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is HRNXOFUWGPIFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(11-13-5-6-15-11)14(2)10(7-12)9-3-4-9/h5-6,8-10H,3-4,7,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 225.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 116651463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).