N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

C15H20N4S2 — CID 86786510

IUPACN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESc1csc(C(NC2CCN(c3nccs3)CC2)C2CC2)n1
InChIInChI=1S/C15H20N4S2/c1-2-11(1)13(14-16-5-9-20-14)18-12-3-7-19(8-4-12)15-17-6-10-21-15/h5-6,9-13,18H,1-4,7-8H2
InChIKeySCUUMIHIYFLVAI-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.31
Rot. Bonds5

About N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 86786510) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID86786510
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC NameN-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESc1csc(C(NC2CCN(c3nccs3)CC2)C2CC2)n1
InChIInChI=1S/C15H20N4S2/c1-2-11(1)13(14-16-5-9-20-14)18-12-3-7-19(8-4-12)15-17-6-10-21-15/h5-6,9-13,18H,1-4,7-8H2
InChIKeySCUUMIHIYFLVAI-UHFFFAOYSA-N
XLogP3.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082
N-[1,3-thiazol-2-yl(thiolan-3-yl)methyl]cyclopropanamine
CID 107133305
N-(1-methylsulfanylpropan-2-yl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 75501339
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
N-(4-propan-2-yloxycyclohexyl)-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 84596152
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine
CID 97348214
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 95968029
N-cyclopropyl-4-(1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 115576653
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine (CID 86786510) is N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is c1csc(C(NC2CCN(c3nccs3)CC2)C2CC2)n1.
What is the InChIKey of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is SCUUMIHIYFLVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-2-11(1)13(14-16-5-9-20-14)18-12-3-7-19(8-4-12)15-17-6-10-21-15/h5-6,9-13,18H,1-4,7-8H2.
What are the key properties of N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine?
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 320.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 86786510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).