1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine

C12H21N3S — CID 116652934

IUPAC1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCc1nc(CN(C)C(CN)C2CC2)sc1C
InChIInChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)7-15(3)11(6-13)10-4-5-10/h10-11H,4-7,13H2,1-3H3
InChIKeyILBYZSACNAVPFP-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.93
Rot. Bonds5

About 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine

1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 116652934) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID116652934
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
SMILESCc1nc(CN(C)C(CN)C2CC2)sc1C
InChIInChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)7-15(3)11(6-13)10-4-5-10/h10-11H,4-7,13H2,1-3H3
InChIKeyILBYZSACNAVPFP-UHFFFAOYSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine (CID 116652934) is 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine is Cc1nc(CN(C)C(CN)C2CC2)sc1C.
What is the InChIKey of 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is ILBYZSACNAVPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8-9(2)16-12(14-8)7-15(3)11(6-13)10-4-5-10/h10-11H,4-7,13H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine?
1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 239.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).