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

C14H23N3S — CID 82515522

IUPACN-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCC1CCN(Cc2nc(CNC3CC3)cs2)CC1
InChIInChI=1S/C14H23N3S/c1-11-4-6-17(7-5-11)9-14-16-13(10-18-14)8-15-12-2-3-12/h10-12,15H,2-9H2,1H3
InChIKeyWQYJSPINPFHJJP-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.63
Rot. Bonds5

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

N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (PubChem CID 82515522) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
PubChem CID82515522
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
SMILESCC1CCN(Cc2nc(CNC3CC3)cs2)CC1
InChIInChI=1S/C14H23N3S/c1-11-4-6-17(7-5-11)9-14-16-13(10-18-14)8-15-12-2-3-12/h10-12,15H,2-9H2,1H3
InChIKeyWQYJSPINPFHJJP-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62439128
N-methyl-1-[4-[(4-methylazepan-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 63626664
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
1-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63167181
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
N-methyl-4-[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82515501
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 63848766
N-[[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 63218474
N-[[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 114172725
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120558523
N-[[2-[(3,5-dimethylphenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55096147
N-[[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61496393

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine (CID 82515522) is N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is CC1CCN(Cc2nc(CNC3CC3)cs2)CC1.
What is the InChIKey of N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WQYJSPINPFHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-11-4-6-17(7-5-11)9-14-16-13(10-18-14)8-15-12-2-3-12/h10-12,15H,2-9H2,1H3.
What are the key properties of N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine?
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine has a molecular weight of 265.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82515522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).