1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine

C11H16F3N3S — CID 75362829

IUPAC1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)C(CNc1nc(C(F)(F)F)cs1)C1CC1
InChIInChI=1S/C11H16F3N3S/c1-17(2)8(7-3-4-7)5-15-10-16-9(6-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyYEGQQSBNMHKRER-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.91
Rot. Bonds5

About 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine

1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine (PubChem CID 75362829) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
PubChem CID75362829
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)C(CNc1nc(C(F)(F)F)cs1)C1CC1
InChIInChI=1S/C11H16F3N3S/c1-17(2)8(7-3-4-7)5-15-10-16-9(6-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyYEGQQSBNMHKRER-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine (CID 75362829) is 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine is CN(C)C(CNc1nc(C(F)(F)F)cs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
The InChIKey is YEGQQSBNMHKRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-17(2)8(7-3-4-7)5-15-10-16-9(6-18-10)11(12,13)14/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine?
1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine has a molecular weight of 279.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 75362829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).