(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

C16H24N6S — CID 125138758

IUPAC(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(N2CCN(c3cc(N4CCCC4)ncn3)CC2)S1
InChIInChI=1S/C16H24N6S/c1-13-11-17-16(23-13)22-8-6-21(7-9-22)15-10-14(18-12-19-15)20-4-2-3-5-20/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1
InChIKeyATWIWQJBAQVNST-ZDUSSCGKSA-N
MW332.48 g/mol
LogP1.69
Rot. Bonds2

About (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole

(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 125138758) has the molecular formula C16H24N6S and a molecular weight of 332.48 g/mol. Its IUPAC name is (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID125138758
Molecular FormulaC16H24N6S
Molecular Weight332.48 g/mol
Exact Mass332.18
IUPAC Name(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(N2CCN(c3cc(N4CCCC4)ncn3)CC2)S1
InChIInChI=1S/C16H24N6S/c1-13-11-17-16(23-13)22-8-6-21(7-9-22)15-10-14(18-12-19-15)20-4-2-3-5-20/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1
InChIKeyATWIWQJBAQVNST-ZDUSSCGKSA-N
XLogP1.69
TPSA47.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56795550
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
4-[6-(2,6-dimethylthiomorpholin-4-yl)pyrimidin-4-yl]-2,6-dimethylthiomorpholine
CID 133484522
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
(2-chloro-4-pyridinyl)-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71998346
4-[(2R)-2-methylpiperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 98042461
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
3-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463815

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole (CID 125138758) is (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is C[C@H]1CN=C(N2CCN(c3cc(N4CCCC4)ncn3)CC2)S1.
What is the InChIKey of (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is ATWIWQJBAQVNST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6S/c1-13-11-17-16(23-13)22-8-6-21(7-9-22)15-10-14(18-12-19-15)20-4-2-3-5-20/h10,12-13H,2-9,11H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole?
(5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 332.48 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 125138758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).