N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine

C16H22N6S — CID 100651961

IUPACN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyWMHKCZKTKMMMJF-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine

N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 100651961) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID100651961
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC NameN-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESc1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1
InChIInChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20)
InChIKeyWMHKCZKTKMMMJF-UHFFFAOYSA-N
XLogP2.61
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrimidin-2-yl-{4-[2-(4-thiazol-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-amine
CID 10643047
2-(6-(4-Aminoazepan-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934593
2-(6-(Piperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934630
2-(6-(4-Aminopiperidin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934657
2-(6-(4-(2-(Pyrrolidin-1-yl)ethyl)piperazin-1-yl)pyrimidin-4-ylamino)thiazole-5-carbonitrile
CID 21934697
2-{[6-(3-Aminopyrrolidin-1-yl)pyrimidin-4-yl]amino}-1,3-thiazole-5-carbonitrile
CID 21934707
2-Pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 47053717
6-[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
CID 56778107
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 71933043
N-methyl-6-[2-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72043839
N-methyl-6-[2-[(1,3-thiazol-4-ylmethylamino)methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 72144339
[1-[6-[2-(1,3-Thiazol-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144557

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine (CID 100651961) is N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine is c1nc(N2CCCC2)cc(N2CCC(Nc3nccs3)CC2)n1.
What is the InChIKey of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is WMHKCZKTKMMMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-2-7-21(6-1)14-11-15(19-12-18-14)22-8-3-13(4-9-22)20-16-17-5-10-23-16/h5,10-13H,1-4,6-9H2,(H,17,20).
What are the key properties of N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine?
N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 330.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 100651961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).