N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

C13H21N3S — CID 78924569

IUPACN-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESc1nc(CN2CCC(NCC3CC3)CC2)cs1
InChIInChI=1S/C13H21N3S/c1-2-11(1)7-14-12-3-5-16(6-4-12)8-13-9-17-10-15-13/h9-12,14H,1-8H2
InChIKeyMBOTUSGPCWBFJA-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine

N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (PubChem CID 78924569) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
PubChem CID78924569
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
SMILESc1nc(CN2CCC(NCC3CC3)CC2)cs1
InChIInChI=1S/C13H21N3S/c1-2-11(1)7-14-12-3-5-16(6-4-12)8-13-9-17-10-15-13/h9-12,14H,1-8H2
InChIKeyMBOTUSGPCWBFJA-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

N-[(5-ethylfuran-2-yl)methyl]-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 75380785
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 104973803
N-(cyclopropylmethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82870184
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
CID 75444299
N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75424571
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine (CID 78924569) is N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is c1nc(CN2CCC(NCC3CC3)CC2)cs1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
The InChIKey is MBOTUSGPCWBFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-11(1)7-14-12-3-5-16(6-4-12)8-13-9-17-10-15-13/h9-12,14H,1-8H2.
What are the key properties of N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine?
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine 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-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 78924569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).