N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine

C13H16F2N4S — CID 75372532

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCc1nc(CN(Cc2nccn2C(F)F)C2CC2)cs1
InChIInChI=1S/C13H16F2N4S/c1-9-17-10(8-20-9)6-18(11-2-3-11)7-12-16-4-5-19(12)13(14)15/h4-5,8,11,13H,2-3,6-7H2,1H3
InChIKeyCRVWJWCXUKVLSK-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.21
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (PubChem CID 75372532) has the molecular formula C13H16F2N4S and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
PubChem CID75372532
Molecular FormulaC13H16F2N4S
Molecular Weight298.36 g/mol
Exact Mass298.11
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
SMILESCc1nc(CN(Cc2nccn2C(F)F)C2CC2)cs1
InChIInChI=1S/C13H16F2N4S/c1-9-17-10(8-20-9)6-18(11-2-3-11)7-12-16-4-5-19(12)13(14)15/h4-5,8,11,13H,2-3,6-7H2,1H3
InChIKeyCRVWJWCXUKVLSK-UHFFFAOYSA-N
XLogP3.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine (CID 75372532) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is Cc1nc(CN(Cc2nccn2C(F)F)C2CC2)cs1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
The InChIKey is CRVWJWCXUKVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4S/c1-9-17-10(8-20-9)6-18(11-2-3-11)7-12-16-4-5-19(12)13(14)15/h4-5,8,11,13H,2-3,6-7H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine has a molecular weight of 298.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 75372532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).