N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine

C14H20N4S — CID 66133712

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
SMILESCCn1cncc1C(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C14H20N4S/c1-4-18-8-15-7-12(18)13(17-11-5-6-11)14-16-9(2)10(3)19-14/h7-8,11,13,17H,4-6H2,1-3H3
InChIKeySDOQAWUHAHUJPC-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.82
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine (PubChem CID 66133712) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
PubChem CID66133712
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine
SMILESCCn1cncc1C(NC1CC1)c1nc(C)c(C)s1
InChIInChI=1S/C14H20N4S/c1-4-18-8-15-7-12(18)13(17-11-5-6-11)14-16-9(2)10(3)19-14/h7-8,11,13,17H,4-6H2,1-3H3
InChIKeySDOQAWUHAHUJPC-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine (CID 66133712) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine is CCn1cncc1C(NC1CC1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine?
The InChIKey is SDOQAWUHAHUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-4-18-8-15-7-12(18)13(17-11-5-6-11)14-16-9(2)10(3)19-14/h7-8,11,13,17H,4-6H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine has a molecular weight of 276.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(3-ethylimidazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 66133712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).