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

C14H23N3S — CID 55074876

IUPACN-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCN(Cc1csc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C14H23N3S/c1-2-7-17(13-5-6-13)9-12-10-18-14(16-12)8-15-11-3-4-11/h10-11,13,15H,2-9H2,1H3
InChIKeyCHZBWXAYMFYGCJ-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.77
Rot. Bonds8

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

N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (PubChem CID 55074876) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
PubChem CID55074876
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
SMILESCCCN(Cc1csc(CNC2CC2)n1)C1CC1
InChIInChI=1S/C14H23N3S/c1-2-7-17(13-5-6-13)9-12-10-18-14(16-12)8-15-11-3-4-11/h10-11,13,15H,2-9H2,1H3
InChIKeyCHZBWXAYMFYGCJ-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanamine
CID 62421786
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 62413200
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62450778
N-[[4-[[cyclobutylmethyl(ethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 107401935
N-[[4-(butoxymethyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62451710
N-(2-methylpropyl)-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55073796
N-[[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62430946
N-[[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63681870
1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62431152
N-[[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62426181

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine (CID 55074876) is N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is CCCN(Cc1csc(CNC2CC2)n1)C1CC1.
What is the InChIKey of N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is CHZBWXAYMFYGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-7-17(13-5-6-13)9-12-10-18-14(16-12)8-15-11-3-4-11/h10-11,13,15H,2-9H2,1H3.
What are the key properties of N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine?
N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55074876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).