3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

C17H25N7S — CID 126890114

IUPAC3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(N(c3ccncn3)C3CC3)CC2)ns1
InChIInChI=1S/C17H25N7S/c1-22(2)17-20-15(21-25-17)11-23-9-6-14(7-10-23)24(13-3-4-13)16-5-8-18-12-19-16/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyCZAGYRFBITWYDO-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.03
Rot. Bonds6

About 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine

3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126890114) has the molecular formula C17H25N7S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID126890114
Molecular FormulaC17H25N7S
Molecular Weight359.50 g/mol
Exact Mass359.19
IUPAC Name3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCN(C)c1nc(CN2CCC(N(c3ccncn3)C3CC3)CC2)ns1
InChIInChI=1S/C17H25N7S/c1-22(2)17-20-15(21-25-17)11-23-9-6-14(7-10-23)24(13-3-4-13)16-5-8-18-12-19-16/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3
InChIKeyCZAGYRFBITWYDO-UHFFFAOYSA-N
XLogP2.03
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
N-[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 126890176
[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-4-yl]methanol
CID 136514582
4-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpyrimidin-2-one
CID 126890144
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890116
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172881525
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172900242
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
N-cyclopropyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890340
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine (CID 126890114) is 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is CN(C)c1nc(CN2CCC(N(c3ccncn3)C3CC3)CC2)ns1.
What is the InChIKey of 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CZAGYRFBITWYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7S/c1-22(2)17-20-15(21-25-17)11-23-9-6-14(7-10-23)24(13-3-4-13)16-5-8-18-12-19-16/h5,8,12-14H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine?
3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 359.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126890114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).