(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C19H25N5O2S — CID 90349550

IUPAC(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc2c(s1)CCCC2
InChIInChI=1S/C19H25N5O2S/c1-11(2)14-10-26-19(25)24(14)16-8-9-20-18(23-16)21-12(3)17-22-13-6-4-5-7-15(13)27-17/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,21,23)/t12?,14-/m1/s1
InChIKeyRTXRRXBSLXJVAR-TYZXPVIJSA-N
MW387.51 g/mol
LogP3.97
Rot. Bonds5

About (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90349550) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90349550
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc2c(s1)CCCC2
InChIInChI=1S/C19H25N5O2S/c1-11(2)14-10-26-19(25)24(14)16-8-9-20-18(23-16)21-12(3)17-22-13-6-4-5-7-15(13)27-17/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,21,23)/t12?,14-/m1/s1
InChIKeyRTXRRXBSLXJVAR-TYZXPVIJSA-N
XLogP3.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[2-[1-(1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489822
(4S)-3-[2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489923
(4S)-4-propan-2-yl-3-[2-[1-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347635
(4S)-3-[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479268
3-[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479269
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343122
4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343123
4-propan-2-yl-3-[2-[[(1S)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343286
(4S)-3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343800
3-[2-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90343803
4-Propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 123353410
3-[2-(1,3-Benzothiazol-2-ylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123615153

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90349550) is (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(Nc1nccc(N2C(=O)OC[C@@H]2C(C)C)n1)c1nc2c(s1)CCCC2.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is RTXRRXBSLXJVAR-TYZXPVIJSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-11(2)14-10-26-19(25)24(14)16-8-9-20-18(23-16)21-12(3)17-22-13-6-4-5-7-15(13)27-17/h8-9,11-12,14H,4-7,10H2,1-3H3,(H,20,21,23)/t12?,14-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 387.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90349550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).