N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine

C13H21N3S — CID 112641605

IUPACN-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
SMILESc1ncc(CN(CC2CCNCC2)C2CC2)s1
InChIInChI=1S/C13H21N3S/c1-2-12(1)16(9-13-7-15-10-17-13)8-11-3-5-14-6-4-11/h7,10-12,14H,1-6,8-9H2
InChIKeyIRJYNXKGADULHD-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.11
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine

N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine (PubChem CID 112641605) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
PubChem CID112641605
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine
SMILESc1ncc(CN(CC2CCNCC2)C2CC2)s1
InChIInChI=1S/C13H21N3S/c1-2-12(1)16(9-13-7-15-10-17-13)8-11-3-5-14-6-4-11/h7,10-12,14H,1-6,8-9H2
InChIKeyIRJYNXKGADULHD-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[piperidin-4-yl(1,3-thiazol-5-ylmethyl)amino]acetamide
CID 112641538
N-[(3-ethylimidazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715367
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714350
2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]methyl]aniline
CID 112640948
3-[cyclopropyl(1,3-thiazol-5-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 103953978
N-[(5-ethylfuran-2-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715370
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 112739771
N-(piperidin-4-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 79713790
N-[(5-chlorothiadiazol-4-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79714268
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715016
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine (CID 112641605) is N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine is c1ncc(CN(CC2CCNCC2)C2CC2)s1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine?
The InChIKey is IRJYNXKGADULHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-12(1)16(9-13-7-15-10-17-13)8-11-3-5-14-6-4-11/h7,10-12,14H,1-6,8-9H2.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine?
N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine has a molecular weight of 251.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)cyclopropanamine is sourced from PubChem (CID 112641605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).