4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine

C15H19N7S — CID 50966489

IUPAC4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)nc(N2CCCC2)n1)c1cn2ccsc2n1
InChIInChI=1S/C15H19N7S/c1-10(11-9-22-6-7-23-15(22)18-11)17-13-8-12(16)19-14(20-13)21-4-2-3-5-21/h6-10H,2-5H2,1H3,(H3,16,17,19,20)
InChIKeyDJPJLQPIPZLEFL-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.54
Rot. Bonds4

About 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine

4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine (PubChem CID 50966489) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
PubChem CID50966489
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC Name4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)nc(N2CCCC2)n1)c1cn2ccsc2n1
InChIInChI=1S/C15H19N7S/c1-10(11-9-22-6-7-23-15(22)18-11)17-13-8-12(16)19-14(20-13)21-4-2-3-5-21/h6-10H,2-5H2,1H3,(H3,16,17,19,20)
InChIKeyDJPJLQPIPZLEFL-UHFFFAOYSA-N
XLogP2.54
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)piperidin-4-amine
CID 56718994
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-methyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;hydrochloride
CID 154894603
(2R)-2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid
CID 51674828
2-imidazo[2,1-b][1,3]thiazol-6-ylpropanoic acid;hydrochloride
CID 53444457
3-amino-4-chloro-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91764898
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine
CID 56719293
N-[(1R)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95201180
N-methyl-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 62192524
N-[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 95558715
4-hydroxy-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-phenylpiperidine-1-carboxamide
CID 122572182
3-[2-[[(1S)-1-imidazo[2,1-b][1,3]thiazol-6-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89478989
4-hydrazinyl-6-pyrrolidin-1-yl-N-(1-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80898197

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine (CID 50966489) is 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine is CC(Nc1cc(N)nc(N2CCCC2)n1)c1cn2ccsc2n1.
What is the InChIKey of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
The InChIKey is DJPJLQPIPZLEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S/c1-10(11-9-22-6-7-23-15(22)18-11)17-13-8-12(16)19-14(20-13)21-4-2-3-5-21/h6-10H,2-5H2,1H3,(H3,16,17,19,20).
What are the key properties of 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine?
4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine has a molecular weight of 329.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-pyrrolidin-1-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 50966489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).