N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

C18H22N6S — CID 126890116

IUPACN-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3cn4ccsc4n3)CC2)ncn1
InChIInChI=1S/C18H22N6S/c1-2-15(1)24(17-3-6-19-13-20-17)16-4-7-22(8-5-16)11-14-12-23-9-10-25-18(23)21-14/h3,6,9-10,12-13,15-16H,1-2,4-5,7-8,11H2
InChIKeyQFNKFFFZDHMGAV-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.82
Rot. Bonds5

About N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126890116) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126890116
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC NameN-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(N(C2CC2)C2CCN(Cc3cn4ccsc4n3)CC2)ncn1
InChIInChI=1S/C18H22N6S/c1-2-15(1)24(17-3-6-19-13-20-17)16-4-7-22(8-5-16)11-14-12-23-9-10-25-18(23)21-14/h3,6,9-10,12-13,15-16H,1-2,4-5,7-8,11H2
InChIKeyQFNKFFFZDHMGAV-UHFFFAOYSA-N
XLogP2.82
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110082
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942655
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)morpholine;hydrobromide
CID 6602914
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
3-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 115332616
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 115332094
2-[4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,4-diazepan-1-yl]ethanol
CID 115334182
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904
6-[[(3R)-3-methylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 104975458
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
6-[(2-methylimidazol-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 78918699

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126890116) is N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(N(C2CC2)C2CCN(Cc3cn4ccsc4n3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is QFNKFFFZDHMGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-2-15(1)24(17-3-6-19-13-20-17)16-4-7-22(8-5-16)11-14-12-23-9-10-25-18(23)21-14/h3,6,9-10,12-13,15-16H,1-2,4-5,7-8,11H2.
What are the key properties of N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126890116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).