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

C15H25N3S — CID 106639699

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCc1nc(CN(CC2CCCNC2)C2CC2)cs1
InChIInChI=1S/C15H25N3S/c1-2-15-17-13(11-19-15)10-18(14-5-6-14)9-12-4-3-7-16-8-12/h11-12,14,16H,2-10H2,1H3
InChIKeyYVRSPWXARCXABJ-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.67
Rot. Bonds6

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106639699) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106639699
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCCc1nc(CN(CC2CCCNC2)C2CC2)cs1
InChIInChI=1S/C15H25N3S/c1-2-15-17-13(11-19-15)10-18(14-5-6-14)9-12-4-3-7-16-8-12/h11-12,14,16H,2-10H2,1H3
InChIKeyYVRSPWXARCXABJ-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624973
N-methyl-1-piperidin-3-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]methanamine
CID 106636510
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624601
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639764
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639763
N-(1H-imidazol-5-ylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639662
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624936
N-[(4-chlorophenyl)methyl]-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 47053893
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-benzyl-N-[[(3R)-piperidin-3-yl]methyl]cyclopropanamine
CID 96555707
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106625038

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106639699) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is CCc1nc(CN(CC2CCCNC2)C2CC2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is YVRSPWXARCXABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-15-17-13(11-19-15)10-18(14-5-6-14)9-12-4-3-7-16-8-12/h11-12,14,16H,2-10H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 279.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106639699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).