N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

C15H25N3S — CID 107401935

IUPACN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1csc(CNC2CC2)n1)CC1CCC1
InChIInChI=1S/C15H25N3S/c1-2-18(9-12-4-3-5-12)10-14-11-19-15(17-14)8-16-13-6-7-13/h11-13,16H,2-10H2,1H3
InChIKeyNPATUYGUNBTMTA-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.02
Rot. Bonds8

About N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine

N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 107401935) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID107401935
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCN(Cc1csc(CNC2CC2)n1)CC1CCC1
InChIInChI=1S/C15H25N3S/c1-2-18(9-12-4-3-5-12)10-14-11-19-15(17-14)8-16-13-6-7-13/h11-13,16H,2-10H2,1H3
InChIKeyNPATUYGUNBTMTA-UHFFFAOYSA-N
XLogP3.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 107401935) is N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCN(Cc1csc(CNC2CC2)n1)CC1CCC1.
What is the InChIKey of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is NPATUYGUNBTMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-18(9-12-4-3-5-12)10-14-11-19-15(17-14)8-16-13-6-7-13/h11-13,16H,2-10H2,1H3.
What are the key properties of N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 279.45 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107401935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).